methyl 2-[({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetate

• ChemBase编号: 173957
• 分子式: C22H24N2O4
• 平均质量: 380.43696
• 单一同位素质量: 380.17360726
• SMILES: c1c(ccc(c1)CNCC(=O)OC)OCCc1nc(oc1C)c1ccccc1
• Canonical SMILES: COC(=O)CNCc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
• InChI: InChI=1S/C22H24N2O4/c1-16-20(24-22(28-16)18-6-4-3-5-7-18)12-13-27-19-10-8-17(9-11-19)14-23-15-21(25)26-2/h3-11,23H,12-15H2,1-2H3
• InChIKey: SLAOTPLLYBJKKI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-[({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetate
• IUPAC传统名: methyl 2-[({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetate
• 别名: N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester

登记号

• CAS号: 331746-65-7
• PubChem SID: 164229867
• PubChem CID: 11697370

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.721059
• LogD (pH = 7.4): 3.195842
• Log P: 3.2069814
• 摩尔折射率: 116.3734 cm^3
• 极化性: 41.87567 Å^3
• 极化表面积: 73.59 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Ethyl Acetate

详细说明

Toronto Research Chemicals - M320665

Muraglitazar intermediate.

参考文献

• Devasthale, P., et al.: J. Med. Chem., 48, 2248 (2005)