CAS 1306738-75-9

4-(1H-Imidazol-1-ylmethyl)-3-methyl-5-isoxazolecarboxylic acid

Description:

4-(1H-Imidazol-1-ylmethyl)-3-methyl-5-isoxazolecarboxylic acid, identified by its CAS number 1306738-75-9, is a chemical compound characterized by its unique structural features, which include an isoxazole ring and an imidazole moiety. This compound typically exhibits properties associated with both heterocyclic compounds, such as potential biological activity and solubility in polar solvents. The presence of the carboxylic acid functional group suggests it may participate in acid-base reactions and form salts or esters. Additionally, the methyl groups contribute to its hydrophobic character, influencing its interaction with biological membranes and potential pharmacological properties. The compound may be of interest in medicinal chemistry, particularly for its potential applications in drug development, given the biological relevance of both the isoxazole and imidazole rings in various therapeutic contexts. Its synthesis and characterization would involve standard organic chemistry techniques, and its stability and reactivity would be influenced by the specific functional groups present in its structure.

Formula: C₉H₉N₃O₃

InChI: InChI=1S/C9H9N3O3/c1-6-7(4-12-3-2-10-5-12)8(9(13)14)15-11-6/h2-3,5H,4H2,1H3,(H,13,14)

InChI key: InChIKey=PUIKASOOSRJJLK-UHFFFAOYSA-N

SMILES: C(C1=C(C(O)=O)ON=C1C)N2C=CN=C2

Synonyms:

• 5-Isoxazolecarboxylic acid, 4-(1H-imidazol-1-ylmethyl)-3-methyl-
• 4-(1H-Imidazol-1-ylmethyl)-3-methyl-5-isoxazolecarboxylic acid