EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93100 - 4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid

ChEBI IDCHEBI:93100
ChEBI Name4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
Stars
DownloadsMolfile
FormulaC16H12N2O4
Net Charge0
Average Mass296.282
Monoisotopic Mass296.07971
SMILESCOc1ccccc1-c1nc(-c2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C16H12N2O4/c1-21-13-5-3-2-4-12(13)15-17-14(18-22-15)10-6-8-11(9-7-10)16(19)20/h2-9H,1H3,(H,19,20)
InChIKeyYSEMDVLJVOLYNL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CHEBI:93100) is a oxadiazole (CHEBI:46685)
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid (CHEBI:93100) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-3402LINCS