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CHEBI:194276 - 2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole

Default Structure
ChEBI IDCHEBI:194276
ChEBI Name2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21N3O
Net Charge0
Average Mass271.364
Monoisotopic Mass271.16846
SMILES[H][C@]1(c2nnc(Cc3ccccc3)o2)CCN(C(C)C)C1
InChIInChI=1S/C16H21N3O/c1-12(2)19-9-8-14(11-19)16-18-17-15(20-16)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t14-/m0/s1
InChIKeyIBVGSFOCMFNIEX-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-Benzyl-5-[(3S)-1-isopropyl-3-pyrrolidinyl]-1,3,4-oxadiazole (CHEBI:194276) is a aralkylamine (CHEBI:18000)
IUPAC Name 
2-benzyl-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
Manual XrefsDatabases
29850410ChemSpider