2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide

• ChemBase ID: 625401
• Molecular Formular: C17H17N5O3
• Molecular Mass: 339.34858
• Monoisotopic Mass: 339.13313943
• SMILES: n1(c(=O)cc(cn1)N(C)C)CC(=O)Nc1cc(c2ocnc2)ccc1
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N(C)C)Nc1cccc(c1)c1cnco1
• InChI: InChI=1S/C17H17N5O3/c1-21(2)14-7-17(24)22(19-8-14)10-16(23)20-13-5-3-4-12(6-13)15-9-18-11-25-15/h3-9,11H,10H2,1-2H3,(H,20,23)
• InChIKey: FNADOQQDYQYZLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
• IUPAC Traditional name: 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
• Synonyms: 2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.68385
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.023723295
• LogD (pH = 7.4): 0.023706893
• Log P: 0.02372949
• Molar Refractivity: 94.6368 cm^3
• Polarizability: 35.305298 Å^3
• Polar Surface Area: 91.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.15
• LOG S: -2.86
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 5