2-Methyl-3-(1,2,4-oxadiazol-5-yl)phenol | 1190090-18-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2-Methyl-3-(1,2,4-oxadiazol-5-yl)phenol
• CAS: 1190090-18-6
• 化学式: C₉H₈N₂O₂
• 分子量: 176.175
• InChiKey: WTWQPMYFCXYCRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-bromo-propan-1-one 、 2-Methyl-3-(1,2,4-oxadiazol-5-yl)phenol 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 生成 1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(2-methyl-3-[1,2,4]oxadiazol-5-yl-phenoxy)-propan-1-one
  参考文献：
  名称：

  Discovery of a small molecule inhibitor through interference with the gp120–CD4 interaction

  摘要：

  A series of piperazine derivatives were designed and synthesised as gp120-CD4 inhibitors. SAR studies led to the discovery of potent inhibitors in a cell based anti viral assay represented by compounds 9 and 28. The rat pharmacokinetic and antiviral profiles of selected compounds are also presented. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.080