CAS 1119450-93-9

2-[[[5-[[(3-Methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]acetic acid

Description:

2-[[[5-[[(3-Methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]acetic acid, with the CAS number 1119450-93-9, is a chemical compound characterized by its complex structure, which includes an oxadiazole ring, a thioether linkage, and an acetic acid moiety. This compound features a 3-methylbutyl group that contributes to its hydrophobic characteristics, while the oxadiazole ring is known for its potential biological activity, often associated with antimicrobial and anti-inflammatory properties. The presence of the thioether group may enhance its solubility and reactivity in various chemical environments. Additionally, the carboxylic acid functional group in the acetic acid portion can participate in hydrogen bonding, influencing its interactions in biological systems. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals or agrochemicals, although specific biological activities and applications would require further investigation.

Formula: C₁₁H₁₇N₃O₄S

InChI: InChI=1S/C11H17N3O4S/c1-7(2)3-4-12-10(17)11-13-8(14-18-11)5-19-6-9(15)16/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16)

InChI key: InChIKey=XSWPLOFBPMFKRU-UHFFFAOYSA-N

SMILES: C(NCCC(C)C)(=O)C1=NC(CSCC(O)=O)=NO1

Synonyms:

• Acetic acid, 2-[[[5-[[(3-methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]-
• 2-[[[5-[[(3-Methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]acetic acid
• {[(5-{[(3-methylbutyl)amino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]thio}acetic acid
• 2-(((5-(ISOPENTYLCARBAMOYL)-1,2,4-OXADIAZOL-3-YL)METHYL)THIO)ACETIC ACID