CAS 94192-16-2

3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid

Description:

3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid, identified by its CAS number 94192-16-2, is a chemical compound characterized by its oxadiazole ring, which is a five-membered heterocyclic structure containing two nitrogen atoms and three carbon atoms. This compound features a propanoic acid functional group, contributing to its acidic properties. The presence of the 3-methylphenyl substituent enhances its hydrophobic characteristics, potentially influencing its solubility and reactivity. Oxadiazoles are known for their diverse biological activities, including antimicrobial and anti-inflammatory properties, making this compound of interest in pharmaceutical research. Its molecular structure suggests potential applications in drug development, particularly in areas requiring compounds with specific biological interactions. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in its practical applications. Overall, 3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid represents a unique structure with potential utility in various chemical and biological contexts.

Formula: C₁₂H₁₂N₂O₃

InChI: InChI=1S/C12H12N2O3/c1-8-3-2-4-9(7-8)12-13-10(17-14-12)5-6-11(15)16/h2-4,7H,5-6H2,1H3,(H,15,16)

InChI key: InChIKey=XODDCJFEBMABKW-UHFFFAOYSA-N

SMILES: C(CC(O)=O)C1=NC(=NO1)C2=CC(C)=CC=C2

Synonyms:

• 3-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]propionic acid
• 3-(3-Methylphenyl)-1,2,4-oxadiazole-5-propanoic acid
• 1,2,4-Oxadiazole-5-propanoic acid, 3-(3-methylphenyl)-