3-(3-Methylphenyl)-5-pentadecyl-1,2,4-oxadiazole | 872177-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-Methylphenyl)-5-pentadecyl-1,2,4-oxadiazole
• CAS: 872177-46-3
• 化学式: C₂₄H₃₈N₂O
• 分子量: 370.579
• InChiKey: UYXHGGWOZQEADJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  27
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  反应 6.0h， 以70%的产率得到3-(3-Methylphenyl)-5-pentadecyl-1,2,4-oxadiazole
  参考文献：
  名称：

  Synthesis of 3-aryl-5-decapentyl-1,2,4-oxadiazoles possessing antiinflammatory and antitumor properties

  摘要：

  A simple, convenient and straightforward synthesis of 3-aryl-1,2,4-oxadiazoles 4a-f from arylamidoximes 1a-f and palmitic acid 2 is described. Compounds 4a-f are non-lethal in mice at four times the therapeutic dose (i.p., LD50>1 g kg(-1) of the animals' body weight). These heterocycles have been found to possess antiinflammatory property similar to aspirin and ibuprofen. Three compounds, viz., 4a, d, e have also been evaluated for antitumor activity, where 4d exhibited an excellent activity comparable to lapachol.

  DOI：

  10.1016/j.farmac.2005.08.003