2-(1-(1-(methylsulfonyl)piperidin-4-yl)-1H-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole | 1265531-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-(1-(1-(methylsulfonyl)piperidin-4-yl)-1H-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole
• 英文别名: 2-[1-(1-Methylsulfonyl-4-piperidyl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole；2-[1-(1-methylsulfonylpiperidin-4-yl)triazol-4-yl]-5-phenyl-1,3,4-oxadiazole
• CAS: 1265531-89-2
• 化学式: C₁₆H₁₈N₆O₃S
• 分子量: 374.423
• InChiKey: QCYVYQMMJKJGGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-Piperidin-4-yltriazole-4-carbohydrazide 在 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 2.7h， 生成 2-(1-(1-(methylsulfonyl)piperidin-4-yl)-1H-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole
  参考文献：
  名称：

  Microwave assisted one pot synthesis of some novel 2,5-disubstituted 1,3,4-oxadiazoles as antifungal agents

  摘要：

  Sodium bisulfite has been reported first time for the synthesis of 2,5-disubstituted 1,3,4-oxadiazole using microwave and conventional method in ethanol-water. The yields obtained are in the range of 90-95% using microwave and 87-91% using conventional method. All the synthesized compounds (8a-8s) are novel and were evaluated for their in vitro antifungal activity. SAR for the series has been developed by comparing their MIC values with miconazole and fluconazole. Some of the compounds from the series like 8k was equipotent with miconazole against Candida albicans and Fusarium oxysporum. Also compound 8n was equipotent with miconazole against F. oxysporum. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.120

文献信息

• Microwave assisted one pot synthesis of some novel 2,5-disubstituted 1,3,4-oxadiazoles as antifungal agents
  作者：Jaiprakash N. Sangshetti、Aniruddha R. Chabukswar、Devanand B. Shinde

  DOI：10.1016/j.bmcl.2010.10.120

  日期：2011.1

  Sodium bisulfite has been reported first time for the synthesis of 2,5-disubstituted 1,3,4-oxadiazole using microwave and conventional method in ethanol-water. The yields obtained are in the range of 90-95% using microwave and 87-91% using conventional method. All the synthesized compounds (8a-8s) are novel and were evaluated for their in vitro antifungal activity. SAR for the series has been developed by comparing their MIC values with miconazole and fluconazole. Some of the compounds from the series like 8k was equipotent with miconazole against Candida albicans and Fusarium oxysporum. Also compound 8n was equipotent with miconazole against F. oxysporum. (c) 2010 Elsevier Ltd. All rights reserved.