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CHEBI:228491 - 2-[1-(4-isobutylphenyl)ethyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole

ChEBI IDCHEBI:228491
ChEBI Name2-[1-(4-isobutylphenyl)ethyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21N3O3
Net Charge0
Average Mass351.406
Monoisotopic Mass351.15829
SMILESCC(C)Cc1ccc(C(C)c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)11-15-7-9-16(10-8-15)14(3)19-21-22-20(26-19)17-5-4-6-18(12-17)23(24)25/h4-10,12-14H,11H2,1-3H3
InChIKeyFRTFQNXHNJOQSH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
2-[1-(4-isobutylphenyl)ethyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole (CHEBI:228491) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole
Manual XrefsDatabases
2023554ChemSpider