2,2-dibutyl-3-acetyl-5-(2-chlorophenyl)-1,3,4-oxadiazoline | 1119700-19-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-dibutyl-3-acetyl-5-(2-chlorophenyl)-1,3,4-oxadiazoline
• 英文别名: 1-[2,2-Dibutyl-5-(2-chlorophenyl)-1,3,4-oxadiazol-3-yl]ethanone
• CAS: 1119700-19-4
• 化学式: C₁₈H₂₅ClN₂O₂
• 分子量: 336.862
• InChiKey: GIAHMBWLVXJPFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-chloro-N'-(nonan-5-ylidene)benzohydrazide 、 乙酸酐 以76%的产率得到2,2-dibutyl-3-acetyl-5-(2-chlorophenyl)-1,3,4-oxadiazoline
  参考文献：
  名称：

  1,3,4-Oxadiazoline derivatives as novel potential inhibitors targeting chitin biosynthesis: Design, synthesis and biological evaluation

  摘要：

  Two series of 1,3,4-oxadiazoline heterocycle derivatives were designed, synthesized and identified. Bioactivity assays showed that all synthesized compounds inhibited chitin synthesis in yeast, suggesting they might be a novel class of potential inhibitors against chitin biosynthesis. The structure-activity relationships (SAR) of these compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.095

文献信息

• 1,3,4-Oxadiazoline derivatives as novel potential inhibitors targeting chitin biosynthesis: Design, synthesis and biological evaluation
  作者：Shaoyong Ke、Fengyi Liu、Ni Wang、Qing Yang、Xuhong Qian

  DOI：10.1016/j.bmcl.2008.11.095

  日期：2009.1

  Two series of 1,3,4-oxadiazoline heterocycle derivatives were designed, synthesized and identified. Bioactivity assays showed that all synthesized compounds inhibited chitin synthesis in yeast, suggesting they might be a novel class of potential inhibitors against chitin biosynthesis. The structure-activity relationships (SAR) of these compounds are discussed. (C) 2008 Elsevier Ltd. All rights reserved.