N-[1-(6-methylpyridin-2-yl)propyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 429700
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: c1(noc(c1)CN1CCOCC1)C(=O)NC(c1nc(ccc1)C)CC
• Canonical SMILES: CCC(c1cccc(n1)C)NC(=O)c1noc(c1)CN1CCOCC1
• InChI: InChI=1S/C18H24N4O3/c1-3-15(16-6-4-5-13(2)19-16)20-18(23)17-11-14(25-21-17)12-22-7-9-24-10-8-22/h4-6,11,15H,3,7-10,12H2,1-2H3,(H,20,23)
• InChIKey: CASRBXHSLABDTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(6-methylpyridin-2-yl)propyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[1-(6-methylpyridin-2-yl)propyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• Synonyms: N-[1-(6-methylpyridin-2-yl)propyl]-5-(morpholin-4-ylmethyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.205871
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0100687
• LogD (pH = 7.4): 1.2481809
• Log P: 1.2517847
• Molar Refractivity: 94.1407 cm^3
• Polarizability: 35.860634 Å^3
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.39
• LOG S: -1.39
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6