CAS 851116-16-0

3-(4-Methylphenyl)-1,2,4-oxadiazole-5-pentanamine

Description:

3-(4-Methylphenyl)-1,2,4-oxadiazole-5-pentanamine, identified by its CAS number 851116-16-0, 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 4-methylphenyl group, contributing to its aromatic properties and potentially influencing its solubility and reactivity. The presence of a pentanamine side chain indicates that it has an amine functional group, which can participate in hydrogen bonding and may affect its biological activity. The oxadiazole moiety is often associated with various pharmacological activities, making compounds like this of interest in medicinal chemistry. Additionally, the molecular structure suggests potential applications in materials science or as intermediates in organic synthesis. The compound's physical properties, such as melting point, boiling point, and solubility, would depend on its specific molecular interactions and the presence of functional groups. Overall, this compound represents a unique combination of structural features that may confer specific chemical and biological properties.

Formula: C₁₄H₁₉N₃O

InChI: InChI=1S/C14H19N3O/c1-11-6-8-12(9-7-11)14-16-13(18-17-14)5-3-2-4-10-15/h6-9H,2-5,10,15H2,1H3

InChI key: InChIKey=VDIWNKCHXGYWFK-UHFFFAOYSA-N

SMILES: C(CCCCN)C1=NC(=NO1)C2=CC=C(C)C=C2

Synonyms:

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