4-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

• ChemBase ID: 474247
• Molecular Formular: C17H20N4O2
• Molecular Mass: 312.3663
• Monoisotopic Mass: 312.1586259
• SMILES: N1(c2c(OCC1=O)cccn2)Cc1n(cnc1)C1CCCCC1
• Canonical SMILES: O=C1COc2c(N1Cc1cncn1C1CCCCC1)nccc2
• InChI: InChI=1S/C17H20N4O2/c22-16-11-23-15-7-4-8-19-17(15)20(16)10-14-9-18-12-21(14)13-5-2-1-3-6-13/h4,7-9,12-13H,1-3,5-6,10-11H2
• InChIKey: ZOOLTLHVFZCARE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
• IUPAC Traditional name: 4-[(3-cyclohexylimidazol-4-yl)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3-one
• Synonyms: 4-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0758791
• LogD (pH = 7.4): 1.5141234
• Log P: 1.544416
• Molar Refractivity: 85.4534 cm^3
• Polarizability: 32.76422 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.07
• LOG S: -2.39
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 3