CAS 1135282-95-9

4-[3-(1,1-Dimethylethyl)-1,2,4-oxadiazol-5-yl]benzonitrile

Description:

4-[3-(1,1-Dimethylethyl)-1,2,4-oxadiazol-5-yl]benzonitrile, identified by its CAS number 1135282-95-9, is a chemical compound characterized by its unique structural features, including a benzonitrile moiety and an oxadiazole ring. The presence of the 1,1-dimethylethyl group contributes to its hydrophobic characteristics, potentially influencing its solubility and reactivity. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal agents. Its oxadiazole ring is known for its stability and ability to participate in various chemical reactions, which can be advantageous in synthetic applications. Additionally, the nitrile functional group can serve as a versatile site for further chemical modifications. Overall, the combination of these functional groups suggests that this compound may possess interesting physical and chemical properties, including potential applications in materials science and organic synthesis. However, specific data regarding its toxicity, environmental impact, and detailed reactivity would require further investigation and empirical studies.

Formula: C₁₃H₁₃N₃O

InChI: InChI=1S/C13H13N3O/c1-13(2,3)12-15-11(17-16-12)10-6-4-9(8-14)5-7-10/h4-7H,1-3H3

InChI key: InChIKey=XJCNCHBSTYIKSH-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1N=C(ON1)C2=CC=C(C#N)C=C2

Synonyms:

• Benzonitrile, 4-[3-(1,1-dimethylethyl)-1,2,4-oxadiazol-5-yl]-
• 4-[3-(1,1-Dimethylethyl)-1,2,4-oxadiazol-5-yl]benzonitrile