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CHEBI:228682 - 5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinol

Default Structure
ChEBI IDCHEBI:228682
ChEBI Name5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13ClFN3O2
Net Charge0
Average Mass297.717
Monoisotopic Mass297.06803
SMILESOC1CNC(c2nc(Cc3ccc(F)cc3Cl)no2)C1
InChIInChI=1S/C13H13ClFN3O2/c14-10-4-8(15)2-1-7(10)3-12-17-13(20-18-12)11-5-9(19)6-16-11/h1-2,4,9,11,16,19H,3,5-6H2
InChIKeyWBGOUPRWTBTSAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-3-pyrrolidinol (CHEBI:228682) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
5-[3-[(2-chloro-4-luorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
Manual XrefsDatabases
42972562ChemSpider