2-(1-Methylindazol-3-yl)-1,3-oxazole | 1345965-52-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 2-(1-Methylindazol-3-yl)-1,3-oxazole
• CAS: 1345965-52-7
• 化学式: C₁₁H₉N₃O
• 分子量: 199.212
• InChiKey: ORBAJVKMTFMNOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  43.85
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(1-Methylindazol-3-yl)-1,3-oxazole 在 sodium tetrahydroborate 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 [2-(1-Methylindazol-3-yl)-1,3-oxazol-5-yl]methanol
  参考文献：
  名称：

  Design, synthesis and insight into the structure–activity relationship of 1,3-disubstituted indazoles as novel HIF-1 inhibitors

  摘要：

  Design, synthesis and insight into the structure-activity relationship (SAR) of 1,3-disubstituted indazoles as novel HIF-1 inhibitors are described. In particular, the substituted furan moiety on indazole skeleton as well as its substitution pattern turns out crucial for the high HIF-1 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.120
• 作为产物：
  描述：

  3-碘-1-甲基-1H-吲唑 、 2-(三正丁基锡基)噁唑 在 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(1-Methylindazol-3-yl)-1,3-oxazole
  参考文献：
  名称：

  Design, synthesis and insight into the structure–activity relationship of 1,3-disubstituted indazoles as novel HIF-1 inhibitors

  摘要：

  Design, synthesis and insight into the structure-activity relationship (SAR) of 1,3-disubstituted indazoles as novel HIF-1 inhibitors are described. In particular, the substituted furan moiety on indazole skeleton as well as its substitution pattern turns out crucial for the high HIF-1 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.120