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CHEBI:228454 - 2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

ChEBI IDCHEBI:228454
ChEBI Name2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16F2N2O
Net Charge0
Average Mass314.335
Monoisotopic Mass314.12307
SMILES[H][C@]1(c2nc3ccccc3o2)CCN(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H16F2N2O/c19-14-6-5-12(9-15(14)20)10-22-8-7-13(11-22)18-21-16-3-1-2-4-17(16)23-18/h1-6,9,13H,7-8,10-11H2/t13-/m0/s1
InChIKeyJICXHQCRCLRPJJ-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole (CHEBI:228454) is a benzoxazole (CHEBI:46700)
IUPAC Name 
2-[(3S)-1-[(3,4-diluorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
Manual XrefsDatabases
29849954ChemSpider