EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115120 - 2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester

ChEBI IDCHEBI:115120
ChEBI Name2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
Stars
DownloadsMolfile
FormulaC17H13BrN2O4
Net Charge0
Average Mass389.205
Monoisotopic Mass388.00587
SMILESO=C(COc1ccc(Br)cc1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H13BrN2O4/c18-13-6-8-14(9-7-13)22-11-16(21)23-10-15-19-20-17(24-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyXYHGIDNNAFOFSL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester (CHEBI:115120) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-26581LINCS