4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)aniline | 96898-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)aniline
• 英文别名: 4-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-phenylamine
• CAS: 96898-78-1
• 化学式: C₁₁H₁₁N₃O
• 分子量: 201.228
• InChiKey: BBJTVRIZPWGGCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  硫光气 、 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)aniline 在 calcium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 1.5h， 生成 5-Cyclopropyl-3-(4-isothiocyanato-phenyl)-[1,2,4]oxadiazole
  参考文献：
  名称：

  Antiparasitic agents. 6. Synthesis and anthelmintic activities of novel isothiocyanatophenyl-1,2,4-oxadiazoles

  摘要：

  The syntheses and anthelmintic activities of 31 3- and 5-(isothiocyanatophenyl)-1,2,4-oxadiazoles are reported. In the primary anthelmintic screen, 3-(4-isothiocyanatophenyl)-1,2,4-oxadiazole (39) showed 100% nematocidal activity and 3-(2-furanyl)-5-(4-isothiocyanatophenyl)-1,2,4-oxadiazole (63), 3-(2-furanyl)-5-(2-chloro-4-isothiocyanatophenyl)-1,2,4-oxadiazole (64), and 3-(2-furanyl)-5-(4-chloro-3-isothiocyanatophenyl)-1,2,4-oxadiazole (66) showed 100% taeniacidal activity when administered orally to mice. The two most active members of this series, 39 and 63, were active against the gastrointestinal nematodes of sheep at 100 mg/kg. In addition, 39 was also found to be active against hookworms in dogs at a single, oral dose of 200 mg/kg.

  DOI：

  10.1021/jm00147a019
• 作为产物：
  描述：

  N'-hydroxy-4-nitrobenzimidamide 在 三乙胺 、 三苯基膦 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 反应 4.0h， 生成 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)aniline
  参考文献：
  名称：

  [EN] SMO MODULATOR COMPOUNDS
  [FR] COMPOSÉS MODULATEURS DE SMO

  摘要：

  The disclosures herein relate to novel compounds of Formula (1a) or a salt thereof, wherein X1, X2, X3, X4, Y1, Y2, Y3, Y4, Z1, Z2, Z3, Z4, W, R1, R4, R5, R6and R7are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with SMO receptors.

  公开号：

  WO2023148481A1