CAS 915921-78-7

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

Description:

3-(3-Methylphenyl)-1,2,4-oxadiazole-5-butanoic acid 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 butanoic acid functional group, contributing to its acidic properties. The presence of the 3-methylphenyl substituent enhances its hydrophobic characteristics, potentially influencing its solubility and interaction with biological systems. The oxadiazole moiety is known for its applications in pharmaceuticals and materials science, often exhibiting interesting electronic and photophysical properties. The compound's structure suggests potential for biological activity, making it a candidate for further research in medicinal chemistry. Its CAS number, 915921-78-7, allows for precise identification in chemical databases, facilitating studies related to its synthesis, reactivity, and potential applications. Overall, this compound exemplifies the diverse functionalities that can arise from heterocyclic chemistry, with implications in various fields including drug development and materials engineering.

Formula: C₁₃H₁₄N₂O₃

InChI: InChI=1S/C13H14N2O3/c1-9-4-2-5-10(8-9)13-14-11(18-15-13)6-3-7-12(16)17/h2,4-5,8H,3,6-7H2,1H3,(H,16,17)

InChI key: InChIKey=DROIFMGZDXPPQM-UHFFFAOYSA-N

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

Synonyms:

• 3-(3-Methylphenyl)-1,2,4-oxadiazole-5-butanoic acid
• 1,2,4-Oxadiazole-5-butanoic acid, 3-(3-methylphenyl)-