5-[3-Chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine | 1135439-84-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[3-Chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
• CAS: 1135439-84-7
• 化学式: C₁₅H₁₁Cl₂N₃O₂
• 分子量: 336.177
• InChiKey: BXLQCMUCZHGYTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[3-Chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine 、 乙酸酐 在 吡啶 作用下， 生成 N-[5-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetamide
  参考文献：
  名称：

  Discovery and SAR of benzyl phenyl ethers as inhibitors of bacterial phenylalanyl-tRNA synthetase

  摘要：

  A series of benzyl phenyl ethers (BPEs) is described that displays potent inhibition of bacterial phenylalanyl-tRNA synthetase. The synthesis, SAR, and select ADMET data are provided. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.054
• 作为产物：
  描述：

  溴化氰 、 4-(3-chlorobenzyloxy)-3-chlorobenzohydrazide 在 碳酸氢钠 作用下， 生成 5-[3-Chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
  参考文献：
  名称：

  Discovery and SAR of benzyl phenyl ethers as inhibitors of bacterial phenylalanyl-tRNA synthetase

  摘要：

  A series of benzyl phenyl ethers (BPEs) is described that displays potent inhibition of bacterial phenylalanyl-tRNA synthetase. The synthesis, SAR, and select ADMET data are provided. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.054

文献信息

• Discovery and SAR of benzyl phenyl ethers as inhibitors of bacterial phenylalanyl-tRNA synthetase
  作者：Justin I. Montgomery、Peter L. Toogood、Kim M. Hutchings、Jia Liu、Lakshmi Narasimhan、Timothy Braden、Michael R. Dermyer、Angela D. Kulynych、Yvonne D. Smith、Joseph S. Warmus、Clarke Taylor

  DOI：10.1016/j.bmcl.2008.12.054

  日期：2009.2

  A series of benzyl phenyl ethers (BPEs) is described that displays potent inhibition of bacterial phenylalanyl-tRNA synthetase. The synthesis, SAR, and select ADMET data are provided. (c) 2008 Elsevier Ltd. All rights reserved.