1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methoxy-1,2-dihydropyridin-2-one

• ChemBase ID: 687430
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: n1(c(=O)c(ccc1)OC)Cc1cc(no1)C1CCCCC1
• Canonical SMILES: COc1cccn(c1=O)Cc1onc(c1)C1CCCCC1
• InChI: InChI=1S/C16H20N2O3/c1-20-15-8-5-9-18(16(15)19)11-13-10-14(17-21-13)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3
• InChIKey: JMIYLFVJBYXUIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methoxy-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methoxypyridin-2-one
• Synonyms: 1-[(3-cyclohexylisoxazol-5-yl)methyl]-3-methoxypyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.360431
• LogD (pH = 7.4): 2.360433
• Log P: 2.360433
• Molar Refractivity: 81.3864 cm^3
• Polarizability: 30.148235 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.0
• LOG S: -3.01
• Polar Surface Area: 57.26 Å^2
• Rotatable Bonds: 4