EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183698 - 3-(4-chlorophenyl)-5-(3-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole

ChEBI IDCHEBI:183698
ChEBI Name3-(4-chlorophenyl)-5-(3-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H11ClN4O
Net Charge0
Average Mass322.755
Monoisotopic Mass322.06214
SMILESClc1ccc(-c2noc(-c3cnnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C17H11ClN4O/c18-13-8-6-12(7-9-13)16-20-17(23-22-16)14-10-19-21-15(14)11-4-2-1-3-5-11/h1-10H,(H,19,21)
InChIKeyAOAQSUXMHOBCDJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
3-(4-chlorophenyl)-5-(3-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole (CHEBI:183698) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
3-(4-chlorophenyl)-5-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
Manual XrefsDatabases
18006201ChemSpider