4-<<3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl>methyl>morpholine | 6596-08-3

• 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-<<3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl>methyl>morpholine
• 英文别名: 5-Morpholinomethyl-3-(4-nitro-phenyl)-1.2.4-oxdiazol；5-Morpholinomethyl-3-(4-nitro-phenyl)-1.2.4-oxadiazol；4-[3-(4-nitro-phenyl)-[1,2,4]oxadiazol-5-ylmethyl]-morpholine；4-[[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
• CAS: 6596-08-3
• 化学式: C₁₃H₁₄N₄O₄
• 分子量: 290.279
• InChiKey: GIIPPCSIXDKQJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  97.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-Morpholinomethyl-3-phenyl-1.2.4-oxadiazol 在 硫酸 、 硝酸 作用下， 生成 5-Morpholinomethyl-3-(3-nitro-phenyl)-1.2.4-oxdiazol 、 4-<<3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl>methyl>morpholine
  参考文献：
  名称：

  Palazzo,G.; Corsi,G., Gazzetta Chimica Italiana, 1963, vol. 93, p. 1196 - 1205

  摘要：

  DOI：

文献信息

• 1,2,4-Oxadiazoles--IV. Synthesis and Pharmacological Properties of a Series of Substituted Aminoalkyl-1,2,4-oxadiazoles
  作者：G. Palazzo、M. Tavella、G. Strani、B. Silvestrini

  DOI：10.1021/jm50018a009

  日期：1961.9
• Antiparasitic agents. 6. Synthesis and anthelmintic activities of novel isothiocyanatophenyl-1,2,4-oxadiazoles
  作者：R. D. Haugwitz、A. J. Martinez、J. Venslavsky、R. G. Angel、B. V. Maurer、G. A. Jacobs、V. L. Narayanan、L. R. Cruthers、J. Szanto

  DOI：10.1021/jm00147a019

  日期：1985.9

  The syntheses and anthelmintic activities of 31 3- and 5-(isothiocyanatophenyl)-1,2,4-oxadiazoles are reported. In the primary anthelmintic screen, 3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole (39) showed 100% nematocidal activity and 3-(2-furanyl)-5-(4-isothiocyanatophenyl)-1,2,4-oxadiazole (63), 3-(2-furanyl)-5-(2-chloro-4-isothiocyanatophenyl)-1,2,4-oxadiazole (64), and 3-(2-furanyl)-5-(4-chloro-3-isothiocyanatophenyl)-1,2,4-oxadiazole (66) showed 100% taeniacidal activity when administered orally to mice. The two most active members of this series, 39 and 63, were active against the gastrointestinal nematodes of sheep at 100 mg/kg. In addition, 39 was also found to be active against hookworms in dogs at a single, oral dose of 200 mg/kg.