N-(pyridin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide | 1369231-49-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(pyridin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
• CAS: 1369231-49-1
• 化学式: C₁₇H₁₂F₃N₃O₂
• 分子量: 347.296
• InChiKey: OYNSGYVBIINFBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-(4-trifluoromethylphenyl)oxazole-4-carboxylic acid ethyl ester 在 水 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(pyridin-4-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
  参考文献：
  名称：

  5-Aryl-4-carboxamide-1,3-oxazoles: Potent and selective GSK-3 inhibitors

  摘要：

  5-Aryl-4-carboxamide-1,3-oxazoles are a novel, potent and selective series of GSK-3 inhibitors. The optimization of the series to yield compounds with cell activity and brain permeability is described. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.034

文献信息

• 5-Aryl-4-carboxamide-1,3-oxazoles: Potent and selective GSK-3 inhibitors
  作者：Gabriella Gentile、Giancarlo Merlo、Alfonso Pozzan、Giovanni Bernasconi、Benjamin Bax、Paul Bamborough、Angela Bridges、Paul Carter、Margarete Neu、Gang Yao、Caroline Brough、Geoffrey Cutler、Aaron Coffin、Svetlana Belyanskaya

  DOI：10.1016/j.bmcl.2012.01.034

  日期：2012.3

  5-Aryl-4-carboxamide-1,3-oxazoles are a novel, potent and selective series of GSK-3 inhibitors. The optimization of the series to yield compounds with cell activity and brain permeability is described. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.