(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}morpholin-2-yl)methanamine

• ChemBase编号: 306408
• 分子式: C11H14N4O2
• 平均质量: 234.25446
• 单一同位素质量: 234.11167571
• SMILES: n1c(N2CC(OCC2)CN)oc2c1nccc2
• Canonical SMILES: NCC1OCCN(C1)c1nc2c(o1)cccn2
• InChI: InChI=1S/C11H14N4O2/c12-6-8-7-15(4-5-16-8)11-14-10-9(17-11)2-1-3-13-10/h1-3,8H,4-7,12H2
• InChIKey: ODZZNBTUTOBSGX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}morpholin-2-yl)methanamine
• IUPAC传统名: (4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}morpholin-2-yl)methanamine
• 别名: 1-(4-[1,3]oxazolo[4,5-b]pyridin-2-ylmorpholin-2-yl)methanamine

登记号

• CAS号: 1035840-60-8
• MDL号: MFCD09701648

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -2.663753
• LogD (pH = 7.4): -1.4184448
• Log P: 0.26377422
• 摩尔折射率: 62.7354 cm^3
• 极化性: 24.121984 Å^3
• 极化表面积: 77.41 Å^2