N-(2,6-dimethoxypyridin-3-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide

• ChemBase ID: 726643
• Molecular Formular: C17H23N5O5
• Molecular Mass: 377.39502
• Monoisotopic Mass: 377.16991886
• SMILES: C(=O)(N1CC(Cc2nc(on2)CC)OCC1)Nc1c(nc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(n1)OC)NC(=O)N1CCOC(C1)Cc1noc(n1)CC
• InChI: InChI=1S/C17H23N5O5/c1-4-14-19-13(21-27-14)9-11-10-22(7-8-26-11)17(23)18-12-5-6-15(24-2)20-16(12)25-3/h5-6,11H,4,7-10H2,1-3H3,(H,18,23)
• InChIKey: WMILSIUEACSHPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dimethoxypyridin-3-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
• IUPAC Traditional name: N-(2,6-dimethoxypyridin-3-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
• Synonyms: N-(2,6-dimethoxypyridin-3-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.280048
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.963331
• LogD (pH = 7.4): 1.9632863
• Log P: 1.9633416
• Molar Refractivity: 98.0387 cm^3
• Polarizability: 36.288467 Å^3
• Polar Surface Area: 111.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 0.67
• LOG S: -2.52
• Polar Surface Area: 111.84 Å^2
• Rotatable Bonds: 6