4-[5-(2,5-dimethoxyphenyl)-[1,2,4]oxadiazol-3-yl]-pyridine | 1347755-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(2,5-dimethoxyphenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
• 英文别名: 5-(2,5-Dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole；5-(2,5-dimethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
• CAS: 1347755-37-6
• 化学式: C₁₅H₁₃N₃O₃
• 分子量: 283.287
• InChiKey: GMESTJAVTTXAQF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  70.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-吡啶基偕胺肟 、 2,5-二甲氧基苯甲醛 反应 0.12h， 以76%的产率得到4-[5-(2,5-dimethoxyphenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
  参考文献：
  名称：

  Synthesis anti-inflammatory and anticancer activity evaluation of some pyrazole and oxadiazole derivatives

  摘要：

  Pyrazole derivatives IIa-l have been synthesized by condensation of chalcones Ia-f with hydrazine hydrate and phenyl hydrazine under microwave irradiation in good yields. Oxadiazole derivatives IVa-f have been synthesized by condensation of N'-hydroxypicolinamidine, N'-hydroxy isonicotinamidine, N'-hydroxypyrazine-2-carboxamidine with 2,5 dimethoxybenzaldehyde and 3-methoxy-4-hydroxy benzaldehyde, respectively. Structures assigned to IIa-l and IVa-f are fully supported by correct spectral and analytical data. All compounds (IIa-l & IVa-f) have been screened for anti-inflammatory and anticancer activities. Compounds IIj, IIk, and IVb exhibited good anti-inflammatory activity, while, IIa, c, j, and IVd showed better anticancer activity against four and three cancer cell lines, respectively.

  DOI：

  10.1007/s00044-011-9850-7