(2R,6S)-4-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine

• ChemBase编号: 334166
• 分子式: C22H26N2O3
• 平均质量: 366.45344
• 单一同位素质量: 366.1943427
• SMILES: c1(nc(c(o1)C)CN1C[C@@H](O[C@@H](C1)C)C)c1c2c(c(cc1)OC)cccc2
• Canonical SMILES: COc1ccc(c2c1cccc2)c1nc(c(o1)C)CN1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C22H26N2O3/c1-14-11-24(12-15(2)26-14)13-20-16(3)27-22(23-20)19-9-10-21(25-4)18-8-6-5-7-17(18)19/h5-10,14-15H,11-13H2,1-4H3/t14-,15+
• InChIKey: ZZJWGNGGWCGZLW-GASCZTMLSA-N

名称和登记号

名称

• IUPAC标准名: (2R,6S)-4-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine
• IUPAC传统名: (2R,6S)-4-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine
• 别名: (2R*,6S*)-4-{[2-(4-methoxy-1-naphthyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,6-dimethylmorpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5092664
• LogD (pH = 7.4): 3.5495114
• Log P: 3.6087925
• 摩尔折射率: 115.8647 cm^3
• 极化性: 42.78009 Å^3
• 极化表面积: 47.73 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 4.12
• LOG S: -3.63
• 极化表面积: 47.73 Å^2
• 可自由旋转的化学键: 3