CAS 1142210-25-0

4-[3-[2-[Methyl(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid

Description:

4-[3-[2-[Methyl(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid, identified by its CAS number 1142210-25-0, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and an oxadiazole ring. This compound features a methyl group attached to a 4-methylbenzoyl group, contributing to its potential as a pharmaceutical or agrochemical agent. The presence of the oxadiazole ring suggests possible applications in materials science or medicinal chemistry, as oxadiazoles are known for their diverse biological activities. The compound's solubility, stability, and reactivity can vary based on its functional groups and overall molecular structure. Additionally, its synthesis may involve multi-step organic reactions, highlighting its complexity. Understanding its properties, such as melting point, boiling point, and spectral characteristics, would require experimental data, which is essential for applications in research and development. Overall, this compound exemplifies the intricate nature of organic chemistry and the potential for novel applications in various fields.

Formula: C₂₀H₁₉N₃O₄

InChI: InChI=1S/C20H19N3O4/c1-13-3-5-15(6-4-13)19(24)23(2)12-11-17-21-18(27-22-17)14-7-9-16(10-8-14)20(25)26/h3-10H,11-12H2,1-2H3,(H,25,26)

InChI key: InChIKey=MBKINFVRLFWZGN-UHFFFAOYSA-N

SMILES: C(CN(C(=O)C1=CC=C(C)C=C1)C)C=2N=C(ON2)C3=CC=C(C(O)=O)C=C3

Synonyms:

• Benzoic acid, 4-[3-[2-[methyl(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]-
• 4-[3-[2-[Methyl(4-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid
• benzoic acid, 4-[3-[2-[methyl(4-methylbenzoyl)amino]ethyl]