CAS 1004398-32-6: 5-(1,1-Dimethylethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

Description: 5-(1,1-Dimethylethyl)-3-(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 and steric bulk. Additionally, it has a para-nitrophenyl group attached, which introduces electron-withdrawing characteristics due to the nitro group, potentially influencing the compound's reactivity and electronic properties. The presence of these functional groups suggests that the compound may exhibit interesting biological or chemical activities, making it a candidate for various applications in pharmaceuticals or materials science. Its molecular structure and substituents can affect its solubility, stability, and interaction with other molecules, which are critical factors in its potential uses. As with many organic compounds, safety and handling precautions should be observed due to the presence of the nitro group, which can be sensitive under certain conditions.

Formula: C₁₂H₁₃N₃O₃

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

InChI key: InChIKey=ZHVZYFLMBAHZKU-UHFFFAOYSA-N

SMILES: O=N(=O)C=1C=CC(=CC1)C2=NOC(=N2)C(C)(C)C

1,2,4-Oxadiazole, 5-(1,1-dimethylethyl)-3-(4-nitrophenyl)-

CAS: 1004398-32-6

• Formula: C₁₂H₁₃N₃O₃
• Molecular weight: 247.2499

5-(tert-Butyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole

CAS: 1004398-32-6

• Purity: 95.0%
• Molecular weight: 247.25399780273438

5-tert-Butyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

CAS: 1004398-32-6

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• Formula: C₁₂H₁₃N₃O₃
• Purity: Min. 95%
• Molecular weight: 247.25 g/mol