2-Methyl-4-cyano-5-morpholino-oxazol | 36641-23-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Methyl-4-cyano-5-morpholino-oxazol
• 英文别名: 2-Methyl-5-morpholinooxazol-4-carbonitril；2-methyl-5-morpholin-4-yl-oxazole-4-carbonitrile；2-Methyl-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile；2-methyl-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
• CAS: 36641-23-3
• 化学式: C₉H₁₁N₃O₂
• mdl: MFCD00462456
• 分子量: 193.205
• InChiKey: WELMHJIYMANPRN-UHFFFAOYSA-N

物化性质

• 熔点：
  81-82 °C(Solv: ligroine (8032-32-4))
• 沸点：
  369.5±42.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  62.3
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS
  申请人：Kotnik Miha

  公开号：US20090247516A1

  公开（公告）日：2009-10-01

  The present invention concerns novel azolidine compounds of Formula (I) wherein X denotes S, NH, CH2 or O, Y and W denotes each independently S or O, Q denotes CH or N, n and m are an integer from 0 to 2, and R1 and R2 denote independently from each other hydrogen, optionally substituted aryl, optionally substituted heterocyclyl, or an optionally substituted (C1-10) aliphatic group, R3 denotes hydrogen, lower alkyl, halogen, lower alkoxy, nitro, and R4 and R5 denote independently from each other hydrogen, halogen or alkyl, with the proviso that if one of R1 and R2 is hydrogen then the respective other one of R1 and R2 does not denote substituted or unsubstituted 2-furyland their salts, that are useful as pharmaceutical agents, e.g. as antibacterial agents, and to pharmaceutical compositions comprising such compounds.

  本发明涉及式（I）的新型氮杂环化合物，其中X表示S、NH、CH2或O，Y和W各自独立地表示S或O，Q表示CH或N，n和m是0到2的整数，R1和R2各自独立地表示氢、可选取代芳基、可选取代杂环基或可选取代（C1-10）脂肪基，R3表示氢、低碳烷基、卤素、低碳烷氧基、硝基，R4和R5各自独立地表示氢、卤素或烷基，但如果R1和R2中的一个是氢，则另一个分别不表示取代或未取代的2-呋喃基。该化合物及其盐可用作制药剂，例如作为抗菌剂，并用于包含该化合物的制药组合物。