Consensus flow list

N-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide

fo-66b4bd25d8c34856

Identity

Type
Neutral molecule
CAS
36133-88-7
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for N-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KOURBVJNDMXAMA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H8N4O5/c1-5(14)10-4-7-11-9(12-18-7)6-2-3-8(17-6)13(15)16/h2-3H,4H2,1H3,(H,10,14)
IUPAC name chemrof:IUPAC_name N-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide
Molecular formula chemrof:molecular_formula C9H8N4O5
Molecular mass chemrof:molecular_mass 252.186
Monoisotopic mass chemrof:monoisotopic_mass 252.049469
SMILES string chemrof:smiles_string CC(=O)NCc1nc(-c2ccc([N+](=O)[O-])o2)no1

Known URLs

7

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=36133-88-7 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0020949 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL260611 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2R8YGJ4KJ5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.166G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/118916 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81983648 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4d2994-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-95af-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1027d077-4162-4efd-be76-eceddc6f5965 Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-95ae-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-95b0-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-95ad-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-95ab-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9a36-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-95ac-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-95b2-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9a37-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-95b1-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9a35-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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}

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