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CHEBI:192629 - 2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole

ChEBI IDCHEBI:192629
ChEBI Name2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N2OS
Net Charge0
Average Mass284.384
Monoisotopic Mass284.09833
SMILES[H][C@]1(c2nc3ccccc3o2)CCN(Cc2cccs2)C1
InChIInChI=1S/C16H16N2OS/c1-2-6-15-14(5-1)17-16(19-15)12-7-8-18(10-12)11-13-4-3-9-20-13/h1-6,9,12H,7-8,10-11H2/t12-/m0/s1
InChIKeyPXFNZPCQUHNHLH-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
2-[(3S)-1-(2-Thienylmethyl)-3-pyrrolidinyl]-1,3-benzoxazole (CHEBI:192629) is a benzoxazole (CHEBI:46700)
IUPAC Name 
2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3-benzoxazole
Manual XrefsDatabases
29849962ChemSpider