2-(2-Cyclohexyl-ethyl)-benzooxazol-5-ylamine | 144037-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 2-(2-Cyclohexyl-ethyl)-benzooxazol-5-ylamine
• 英文别名: 2-(2-Cyclohexylethyl)-1,3-benzoxazol-5-amine
• CAS: 144037-45-6
• 化学式: C₁₅H₂₀N₂O
• 分子量: 244.337
• InChiKey: LOUMQTRSDCGWAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-环己基丙酸 、 2,4-二氨基苯酚 在 PPA 、 Polyphosphoric acid (PPA) 作用下， 反应 3.0h， 以59%的产率得到2-(2-Cyclohexyl-ethyl)-benzooxazol-5-ylamine
  参考文献：
  名称：

  The synthesis and the structure-activity relationships of some substituted benzoxazoles, oxazolo(4,5-b)pyridines, benzothiazoles and benzimidazoles as antimicrobial agents

  摘要：

  The synthesis of a new series of 2,5-disubstituted benzoxazoles 4a-f, 2-substituted oxazolo(4,5-b)pyridines 5a, b, benzothiazoles 6a, b and benzimidazoles 7a, b is described in order to determine their antimicrobial activities and feasible structure-activity relationships (SAR). The synthesized compounds were tested in vitro against 3 Gram-positive, 3 Gram-negative, and a fungus Candida albicans. 4b, 4e and 4f were found to be more active than the others against Klebsiella pneumoniae at a MIC value of 12.5-mu-g/ml. All the derivatives 4-7 exhibited significant antimycotic activity against C albicans. The antibacterial and antimycotic activities of 4-7 are also compared with several standard drugs.

  DOI：

  10.1016/0223-5234(92)90154-s

文献信息

• The synthesis and the structure-activity relationships of some substituted benzoxazoles, oxazolo(4,5-b)pyridines, benzothiazoles and benzimidazoles as antimicrobial agents
  作者：İ Yalçin、İ Ören、E Şener、A Akin、N Uçartürk

  DOI：10.1016/0223-5234(92)90154-s

  日期：1992.6

  The synthesis of a new series of 2,5-disubstituted benzoxazoles 4a-f, 2-substituted oxazolo(4,5-b)pyridines 5a, b, benzothiazoles 6a, b and benzimidazoles 7a, b is described in order to determine their antimicrobial activities and feasible structure-activity relationships (SAR). The synthesized compounds were tested in vitro against 3 Gram-positive, 3 Gram-negative, and a fungus Candida albicans. 4b, 4e and 4f were found to be more active than the others against Klebsiella pneumoniae at a MIC value of 12.5-mu-g/ml. All the derivatives 4-7 exhibited significant antimycotic activity against C albicans. The antibacterial and antimycotic activities of 4-7 are also compared with several standard drugs.