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CHEBI:228613 - 2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole

ChEBI IDCHEBI:228613
ChEBI Name2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O
Net Charge0
Average Mass292.382
Monoisotopic Mass292.15756
SMILES[H][C@]1(c2nc3ccccc3o2)CCN(Cc2ccccc2C)C1
InChIInChI=1S/C19H20N2O/c1-14-6-2-3-7-15(14)12-21-11-10-16(13-21)19-20-17-8-4-5-9-18(17)22-19/h2-9,16H,10-13H2,1H3/t16-/m0/s1
InChIKeyCXSZOSMROJOTLX-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(2-Methylbenzyl)-3-pyrrolidinyl]-1,3-benzoxazole (CHEBI:228613) is a benzoxazole (CHEBI:46700)
IUPAC Name 
2-[(3S)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
Manual XrefsDatabases
29849963ChemSpider