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CHEBI:228506 - 5-Chloro-2-[(3S)-1-(4-fluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

ChEBI IDCHEBI:228506
ChEBI Name5-Chloro-2-[(3S)-1-(4-fluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16ClFN2O
Net Charge0
Average Mass330.790
Monoisotopic Mass330.09352
SMILES[H][C@]1(c2nc3cc(Cl)ccc3o2)CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H16ClFN2O/c19-14-3-6-17-16(9-14)21-18(23-17)13-7-8-22(11-13)10-12-1-4-15(20)5-2-12/h1-6,9,13H,7-8,10-11H2/t13-/m0/s1
InChIKeyFHERDDJXPCXICG-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5-Chloro-2-[(3S)-1-(4-fluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole (CHEBI:228506) is a benzoxazole (CHEBI:46700)
IUPAC Name 
5-chloro-2-[(3S)-1-[(4-luorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
Manual XrefsDatabases
29849909ChemSpider