CAS 1119449-70-5

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

Description:

3-[[[5-[(Cyclopropylamino)carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]propanoic acid is a chemical compound characterized by its complex structure, which includes a cyclopropylamino group, an oxadiazole ring, and a propanoic acid moiety. The presence of the oxadiazole ring suggests potential biological activity, as oxadiazoles are often found in pharmaceuticals and agrochemicals. The cyclopropylamino group may contribute to the compound's ability to interact with biological targets, potentially influencing its pharmacological properties. The thioether linkage in the structure indicates that it may participate in various chemical reactions, including nucleophilic substitutions. This compound is likely to exhibit moderate solubility in organic solvents, while its acidic propanoic acid group may impart some degree of solubility in polar solvents. Overall, the unique combination of functional groups in this compound suggests that it could have interesting applications in medicinal chemistry or as a research tool in biochemical studies. However, specific biological activity and safety profiles would require further investigation through experimental studies.

Formula: C₁₀H₁₃N₃O₄S

InChI: InChI=1S/C10H13N3O4S/c14-8(15)3-4-18-5-7-12-10(17-13-7)9(16)11-6-1-2-6/h6H,1-5H2,(H,11,16)(H,14,15)

InChI key: InChIKey=UZJXHPNMSYMQDN-UHFFFAOYSA-N

SMILES: C(NC1CC1)(=O)C2=NC(CSCCC(O)=O)=NO2

Synonyms:

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