CHEBI:228453 - 2-(3-chlorophenyl)-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-(3-chlorophenyl)-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole
ChEBI ID CHEBI:228453
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H7ClF3N3O
Net Charge 0
Average Mass 325.680
Monoisotopic Mass 325.02297
InChI InChI=1S/C14H7ClF3N3O/c15-9-3-1-2-8(6-9)12-20-21-13(22-12)10-7-19-5-4-11(10)14(16,17)18/h1-7H
InChIKey DZYAJJBMGFPDBZ-UHFFFAOYSA-N
SMILES ClC=1C=C(C=2OC(=NN2)C3=C(C=CN=C3)C(F)(F)F)C=CC1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-(3-chlorophenyl)-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole (CHEBI:228453) is a organochlorine compound (CHEBI:36683)
IUPAC Name
2-(3-chlorophenyl)-5-[4-(triluoromethyl)pyridin-3-yl]-1,3,4-oxadiazole
Manual Xref Database
2008939 ChemSpider
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