Brightway Flows 1.0
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4-methyloxazole

fo-8daabc78c54af895

Identity

Type
Neutral molecule
CAS
693-93-6
EC
211-763-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-methyloxazole

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PUMREIFKTMLCAF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3
IUPAC name chemrof:IUPAC_name 4-methyloxazole
Molecular formula chemrof:molecular_formula C4H5NO
Molecular mass chemrof:molecular_mass 83.09
Monoisotopic mass chemrof:monoisotopic_mass 83.037114
SMILES string chemrof:smiles_string Cc1cocn1

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=693-93-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.695 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.252.088 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9022106 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LM39FU40WS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.734F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69663 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27283063 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2bb37075-9920-492b-b095-bf419df5f735 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6ff5cc43-9328-46c3-96c3-0de3252d7a67 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8ff3233e-c4f1-46b4-8128-5ccdd6ed968b Environmental → Air → Indoor EF 3.1 kg 2
767760da-a659-4bd3-b221-6b431ec51205 Environmental → Air → Long-term EF 3.1 kg 0
f5b7b971-e31b-4747-bed4-87f5eec4b3e6 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2bdc6e13-6473-4bde-b7e2-1f53f2303d34 Environmental → Air → Unknown EF 3.1 kg 2
a6d7a9dd-12c9-4a92-b1e8-f9ff1f7198d4 Environmental → Ground → Agricultural EF 3.1 kg 2
3c3e74d3-dddb-478c-abfa-d84239e7a1fe Environmental → Ground → Non-agricultural EF 3.1 kg 2
456589c7-e54c-4a32-ad92-712bc8208601 Environmental → Ground → Unknown EF 3.1 kg 2
6590ba0d-c707-48b0-b0ee-36a848560e2f Environmental → Water → Long-term EF 3.1 kg 0
54f56951-43ab-48d9-a6c9-d100822c7395 Environmental → Water → Ocean EF 3.1 kg 2
ec3d7fb6-ec3d-4c74-9cb0-a17dd771893c Environmental → Water → Surface water EF 3.1 kg 2
9c444fdb-54d7-4985-abec-eda45fa8a1b7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-8daabc78c54af895",
  "prefLabel": [
    {
      "@value": "4-methyloxazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Methyl-1,3-oxazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:693-93-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=693-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxazole, 4-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C4H5NO"
      ],
      "attested_by": {
        "C4H5NO": [
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        },
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
      "attested_by": {
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        ]
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-methyloxazole"
      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
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          ]
        },
        {
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        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        83.037114
      ],
      "provenance": [
        {
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        },
        {
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          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Cc1cocn1"
          ]
        }
      ],
      "attested_by": {
        "83.037114": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.734F",
      "provenance": {
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    },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2bb37075-9920-492b-b095-bf419df5f735",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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      "provenance": {
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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