N-methyl-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}acetamide

• ChemBase ID: 469656
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CC(=O)N(Cc1noc(c1)C(C)C)C
• Canonical SMILES: O=C(N(Cc1noc(c1)C(C)C)C)Cn1c(=O)c(C)nc2c1cccc2
• InChI: InChI=1S/C19H22N4O3/c1-12(2)17-9-14(21-26-17)10-22(4)18(24)11-23-16-8-6-5-7-15(16)20-13(3)19(23)25/h5-9,12H,10-11H2,1-4H3
• InChIKey: WNJHZUHAJDIXAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)-N-{[5-(propan-2-yl)-1,2-oxazol-3-yl]methyl}acetamide
• IUPAC Traditional name: N-[(5-isopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
• Synonyms: N-[(5-isopropylisoxazol-3-yl)methyl]-N-methyl-2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.237984
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4689442
• LogD (pH = 7.4): 1.4689609
• Log P: 1.4689611
• Molar Refractivity: 99.4484 cm^3
• Polarizability: 36.6514 Å^3
• Polar Surface Area: 79.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.73
• LOG S: -2.41
• Polar Surface Area: 81.23 Å^2
• Rotatable Bonds: 5