CAS 1159981-31-3

3-[4-(4-Bromophenoxy)phenyl]-5-methyl-4-isoxazolecarboxylic acid

Description:

3-[4-(4-Bromophenoxy)phenyl]-5-methyl-4-isoxazolecarboxylic acid is a chemical compound characterized by its isoxazole ring, which is a five-membered heterocyclic structure containing both nitrogen and oxygen. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a bromophenoxy group indicates that it has a bromine atom attached to a phenyl ring, which can influence its biological activity and solubility. The methyl group on the isoxazole ring may affect its steric properties and overall stability. This compound is likely to exhibit specific interactions with biological targets, making it of interest in pharmaceutical research. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the presence of halogen atoms can enhance lipophilicity, affecting the compound's pharmacokinetics. Overall, this compound's characteristics make it a subject of interest for further investigation in various chemical and biological contexts.

Formula: C₁₇H₁₂BrNO₄

InChI: InChI=1S/C17H12BrNO4/c1-10-15(17(20)21)16(19-23-10)11-2-6-13(7-3-11)22-14-8-4-12(18)5-9-14/h2-9H,1H3,(H,20,21)

InChI key: InChIKey=BATAJGLQVSLNOH-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=NOC1C)C2=CC=C(OC3=CC=C(Br)C=C3)C=C2

Synonyms:

• 4-Isoxazolecarboxylic acid, 3-[4-(4-bromophenoxy)phenyl]-5-methyl-
• 3-[4-(4-Bromophenoxy)phenyl]-5-methyl-4-isoxazolecarboxylic acid