2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)piperidine-1-carboxamide

• ChemBase ID: 769648
• Molecular Formular: C19H22N4O4
• Molecular Mass: 370.40238
• Monoisotopic Mass: 370.1641052
• SMILES: C(=O)(N1C(c2noc(c2)C)CCCC1)Nc1cc2N(C(=O)COc2cc1)C
• Canonical SMILES: O=C(N1CCCCC1c1noc(c1)C)Nc1ccc2c(c1)N(C)C(=O)CO2
• InChI: InChI=1S/C19H22N4O4/c1-12-9-14(21-27-12)15-5-3-4-8-23(15)19(25)20-13-6-7-17-16(10-13)22(2)18(24)11-26-17/h6-7,9-10,15H,3-5,8,11H2,1-2H3,(H,20,25)
• InChIKey: CPXPEPYNIGDHPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
• IUPAC Traditional name: 2-(5-methyl-1,2-oxazol-3-yl)-N-(4-methyl-3-oxo-2H-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
• Synonyms: 2-(5-methylisoxazol-3-yl)-N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.6235485
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.40257
• LogD (pH = 7.4): 1.4025708
• Log P: 1.4025711
• Molar Refractivity: 99.8435 cm^3
• Polarizability: 37.05995 Å^3
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.11
• LOG S: -2.85
• Polar Surface Area: 87.91 Å^2
• Rotatable Bonds: 2