CAS 1159981-29-9

5-Methyl-3-[4-(4-methylphenoxy)phenyl]-4-isoxazolecarboxylic acid

Description:

5-Methyl-3-[4-(4-methylphenoxy)phenyl]-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 the 4-(4-methylphenoxy)phenyl group indicates that it has significant aromatic character, which can influence its solubility and interaction with biological systems. The methyl groups in the structure may enhance lipophilicity, affecting its pharmacokinetic properties. This compound is of interest in medicinal chemistry, potentially serving as a lead compound for the development of pharmaceuticals due to its unique structural features. Its specific interactions with biological targets would depend on its conformation and the presence of functional groups that can participate in hydrogen bonding or hydrophobic interactions. Overall, the compound's characteristics suggest potential applications in drug development, particularly in areas requiring modulation of biological pathways.

Formula: C₁₈H₁₅NO₄

InChI: InChI=1S/C18H15NO4/c1-11-3-7-14(8-4-11)22-15-9-5-13(6-10-15)17-16(18(20)21)12(2)23-19-17/h3-10H,1-2H3,(H,20,21)

InChI key: InChIKey=AAHCSGOSNFOIEM-UHFFFAOYSA-N

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

Synonyms:

• 5-Methyl-3-[4-(4-methylphenoxy)phenyl]-4-isoxazolecarboxylic acid
• 4-Isoxazolecarboxylic acid, 5-methyl-3-[4-(4-methylphenoxy)phenyl]-