3-(ethoxycarbonyl)-5-(2',3',5',6'-tetrafluoro-4'-(morpholin-N-yl)phenyl)-1,2,4-oxadiazole | 1370025-81-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 3-(ethoxycarbonyl)-5-(2',3',5',6'-tetrafluoro-4'-(morpholin-N-yl)phenyl)-1,2,4-oxadiazole
• 英文别名: Ethyl 5-(2,3,5,6-tetrafluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-3-carboxylate
• CAS: 1370025-81-2
• 化学式: C₁₅H₁₃F₄N₃O₄
• 分子量: 375.28
• InChiKey: OXOZLADEYIUVSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  77.7
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  3-(ethoxycarbonyl)-5-(2',3',5',6'-tetrafluoro-4'-(morpholin-N-yl)phenyl)-1,2,4-oxadiazole 在 氨 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以77%的产率得到5-(2,3,5,6-tetrafluoro-4-morpholinophenyl)-1,2,4-oxadiazole-3-carboxamide
  参考文献：
  名称：

  Synthesis and preliminary antibacterial evaluation of Linezolid-like 1,2,4-oxadiazole derivatives

  摘要：

  In the present study the synthesis of new Linezolid-like molecules has been achieved by substitution of the oxazolidinone central heterocyclic moiety with a 1,2,4-oxadiazole ring. Two series of 1,2,4-oxadiazoles, bearing different side-chains and containing a varying number of fluorine atoms, were synthesized and preliminarily tested for biological activity against some Gram-positive and Gram-negative bacteria using Linezolid and Ceftriaxone as reference drugs. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.02.002
• 作为产物：
  描述：

  O-pentafluorobenzoylcarboxyethylamidoxime 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.5h， 生成 3-(ethoxycarbonyl)-5-(2',3',5',6'-tetrafluoro-4'-(morpholin-N-yl)phenyl)-1,2,4-oxadiazole
  参考文献：
  名称：

  Synthesis and preliminary antibacterial evaluation of Linezolid-like 1,2,4-oxadiazole derivatives

  摘要：

  In the present study the synthesis of new Linezolid-like molecules has been achieved by substitution of the oxazolidinone central heterocyclic moiety with a 1,2,4-oxadiazole ring. Two series of 1,2,4-oxadiazoles, bearing different side-chains and containing a varying number of fluorine atoms, were synthesized and preliminarily tested for biological activity against some Gram-positive and Gram-negative bacteria using Linezolid and Ceftriaxone as reference drugs. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.02.002