CAS 1135282-84-6

3-(1,1-Dimethylethyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole

Description:

3-(1,1-Dimethylethyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole 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 tert-butyl group (1,1-dimethylethyl) at one position of the oxadiazole ring, contributing to its hydrophobic properties, while a para-nitrophenyl group is attached at another position, which can impart significant electronic effects and enhance its reactivity. The presence of the nitro group typically increases the compound's polarity and can influence its solubility in various solvents. This compound may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry and material science. Its unique structural features suggest potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. As with many organic compounds, its stability, reactivity, and interactions with other substances will depend on environmental conditions such as temperature and pH.

Formula: C₁₂H₁₃N₃O₃

InChI: InChI=1S/C12H13N3O3/c1-12(2,3)11-13-10(18-14-11)8-4-6-9(7-5-8)15(16)17/h4-7H,1-3H3

InChI key: InChIKey=DRNAXTOXRXRQKP-UHFFFAOYSA-N

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

Synonyms:

• 1,2,4-Oxadiazole, 3-(1,1-dimethylethyl)-5-(4-nitrophenyl)-
• 3-tert-Butyl-5-(4-nitrophenyl)-1,2,4-oxadiazole
• 3-(1,1-Dimethylethyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
• 3-Tertbutyl-5-(4-nitrophenyl)-1,2,4-oxadiazole