CAS 1159978-81-0

3-(4-Chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid

Description:

3-(4-Chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. The presence of a 4-chlorophenyl group indicates that a chlorine atom is substituted on the phenyl ring, contributing to the compound's potential biological activity. The trifluoromethyl group enhances the lipophilicity and metabolic stability of the molecule, making it of interest in pharmaceutical research. This compound is typically studied for its potential applications in medicinal chemistry, particularly in the development of anti-inflammatory or analgesic agents. Its carboxylic acid functional group suggests it may exhibit acidic properties, influencing its solubility and reactivity in various environments. Overall, the unique combination of functional groups in this compound may lead to diverse interactions in biological systems, warranting further investigation into its pharmacological properties.

Formula: C₁₁H₅ClF₃NO₃

InChI: InChI=1S/C11H5ClF3NO3/c12-6-3-1-5(2-4-6)8-7(10(17)18)9(19-16-8)11(13,14)15/h1-4H,(H,17,18)

InChI key: InChIKey=ZJHAYVJVAXHPHX-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=NOC1C(F)(F)F)C2=CC=C(Cl)C=C2

Synonyms:

• 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-(trifluoromethyl)-
• 3-(4-Chlorophenyl)-5-(trifluoromethyl)-4-isoxazolecarboxylic acid