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CHEBI:47048 - N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID

Default Structure
ChEBI IDCHEBI:47048
ChEBI NameN-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC12H12BClN2O4
Net Charge0
Average Mass294.503
Monoisotopic Mass294.05786
SMILES[H]OB(O[H])C([H])([H])N([H])C(=O)c1c(-c2c([H])c([H])c([H])c([H])c2Cl)noc1C([H])([H])[H]
InChIInChI=1S/C12H12BClN2O4/c1-7-10(12(17)15-6-13(18)19)11(16-20-7)8-4-2-3-5-9(8)14/h2-5,18-19H,6H2,1H3,(H,15,17)
InChIKeyLSXNXXCBOPILJR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID (CHEBI:47048) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)methyl]boronic acidPDBeChem
N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACIDPDBeChem
Manual XrefsDatabases
105PDBeChem