2,3-dimethyl-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}quinoxaline-6-carboxamide

• ChemBase ID: 397596
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: n1c(onc1CNC(=O)c1cc2nc(c(nc2cc1)C)C)C1OCCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nc(c(n2)C)C)NCc1noc(n1)C1CCCO1
• InChI: InChI=1S/C18H19N5O3/c1-10-11(2)21-14-8-12(5-6-13(14)20-10)17(24)19-9-16-22-18(26-23-16)15-4-3-7-25-15/h5-6,8,15H,3-4,7,9H2,1-2H3,(H,19,24)
• InChIKey: BYHZMGQPHADDLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}quinoxaline-6-carboxamide
• IUPAC Traditional name: 2,3-dimethyl-N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}quinoxaline-6-carboxamide
• Synonyms: 2,3-dimethyl-N-{[5-(tetrahydro-2-furanyl)-1,2,4-oxadiazol-3-yl]methyl}-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.358597
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.240279
• LogD (pH = 7.4): 1.2403547
• Log P: 1.2403557
• Molar Refractivity: 93.5283 cm^3
• Polarizability: 36.312054 Å^3
• Polar Surface Area: 103.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.28
• LOG S: -3.33
• Polar Surface Area: 103.03 Å^2
• Rotatable Bonds: 4