CAS 1119449-71-6

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

Description:

3-[[[5-[[(3-Methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]propanoic acid is a chemical compound characterized by its complex structure, which includes an oxadiazole ring, a thioether linkage, and a carboxylic acid functional group. The presence of the 3-methylbutyl group suggests that it has hydrophobic characteristics, potentially influencing its solubility and interaction with biological membranes. The oxadiazole moiety is often associated with biological activity, including antimicrobial and anti-inflammatory properties. The thioether group may enhance the compound's stability and reactivity. This compound's unique structure may allow it to participate in various chemical reactions, making it of interest in medicinal chemistry and drug development. Its specific properties, such as melting point, solubility, and reactivity, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound represents a class of molecules that could have significant applications in pharmaceuticals or agrochemicals, pending further research into its biological activity and safety profile.

Formula: C₁₂H₁₉N₃O₄S

InChI: InChI=1S/C12H19N3O4S/c1-8(2)3-5-13-11(18)12-14-9(15-19-12)7-20-6-4-10(16)17/h8H,3-7H2,1-2H3,(H,13,18)(H,16,17)

InChI key: InChIKey=DEQGXLJOFUQUBF-UHFFFAOYSA-N

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

Synonyms:

• Propanoic acid, 3-[[[5-[[(3-methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]-
• 3-[[[5-[[(3-Methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]propanoic acid