1-[2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone | 331713-36-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-[2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
• CAS: 331713-36-1
• 化学式: C₁₈H₁₉N₃O₂
• 分子量: 309.368
• InChiKey: BTVDPXKSLSBEJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异烟肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 1-[2-(4-propan-2-ylphenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
  参考文献：
  名称：

  Synthesis and testing of 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazole derivatives for antifungal activity against selected Candida Species

  摘要：

  A series of 21 1,3,4-oxadiazoline derivatives was synthesized by cyclization of N-acylhydrazones with acetic anhydride and evaluated for their in vitro antifungal activity against six Candida strains: Candida albicans (ATCC 90028 and LM V-42), C. krusei (ATCC 6258 and LM 12 C) and C. tropicalis (ATCC 13803 and LM 14). The Candida strains were found to be sensitive to some of the compounds, which inhibited the growth by 50-90%, with minimum inhibitory concentration (MIC) in the range of 64-512 mu g mL(-1). The compounds' structures were fully confirmed and characterized by Fourier transform infrared spectroscopy (FTIR), H-1 and C-13 nuclear magnetic resonance (NMR) and mass spectrometry (MS).

  DOI：

  10.1590/s0103-50532013000100016

文献信息

• Synthesis and testing of 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazole derivatives for antifungal activity against selected Candida Species
  作者：Cledualdo S. de Oliveira、Bruno F. Lira、José M. Barbosa-Filho、Jorge G. F. Lorenzo、Camilla P. de Menezes、Jessyca M. C. G. dos Santos、Edeltrudes de O. Lima、Petrônio F. de Athayde-Filho

  DOI：10.1590/s0103-50532013000100016

  日期：——

  A series of 21 1,3,4-oxadiazoline derivatives was synthesized by cyclization of N-acylhydrazones with acetic anhydride and evaluated for their in vitro antifungal activity against six Candida strains: Candida albicans (ATCC 90028 and LM V-42), C. krusei (ATCC 6258 and LM 12 C) and C. tropicalis (ATCC 13803 and LM 14). The Candida strains were found to be sensitive to some of the compounds, which inhibited the growth by 50-90%, with minimum inhibitory concentration (MIC) in the range of 64-512 mu g mL(-1). The compounds' structures were fully confirmed and characterized by Fourier transform infrared spectroscopy (FTIR), H-1 and C-13 nuclear magnetic resonance (NMR) and mass spectrometry (MS).