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CHEBI:228419 - 2-[(3S)-1-(3-Chlorobenzyl)-3-pyrrolidinyl]-5-methyl-1,3-benzoxazole

Default Structure
ChEBI IDCHEBI:228419
ChEBI Name2-[(3S)-1-(3-Chlorobenzyl)-3-pyrrolidinyl]-5-methyl-1,3-benzoxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H19ClN2O
Net Charge0
Average Mass326.827
Monoisotopic Mass326.11859
SMILES[H][C@]1(c2nc3cc(C)ccc3o2)CCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H19ClN2O/c1-13-5-6-18-17(9-13)21-19(23-18)15-7-8-22(12-15)11-14-3-2-4-16(20)10-14/h2-6,9-10,15H,7-8,11-12H2,1H3/t15-/m0/s1
InChIKeyLHUUGKQLMUDCTQ-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(3-Chlorobenzyl)-3-pyrrolidinyl]-5-methyl-1,3-benzoxazole (CHEBI:228419) is a benzoxazole (CHEBI:46700)
IUPAC Name 
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-1,3-benzoxazole
Manual XrefsDatabases
29849922ChemSpider