N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-6-(morpholin-4-yl)pyridine-3-carboxamide

• ChemBase ID: 761147
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: n1oc(c(c1C)CCCNC(=O)c1cnc(N2CCOCC2)cc1)C
• Canonical SMILES: O=C(c1ccc(nc1)N1CCOCC1)NCCCc1c(C)noc1C
• InChI: InChI=1S/C18H24N4O3/c1-13-16(14(2)25-21-13)4-3-7-19-18(23)15-5-6-17(20-12-15)22-8-10-24-11-9-22/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,23)
• InChIKey: DTGPTUCXTYQCOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-6-(morpholin-4-yl)pyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-6-(morpholin-4-yl)pyridine-3-carboxamide
• Synonyms: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-(4-morpholinyl)nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.60725
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.385481
• LogD (pH = 7.4): 1.4659344
• Log P: 1.4670706
• Molar Refractivity: 96.8446 cm^3
• Polarizability: 35.401863 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: 5
• H Donor: 1
• Log P: 1.14
• LOG S: -4.74
• Polar Surface Area: 80.49 Å^2
• Rotatable Bonds: 6