N-[5-carbamoyl-2-(3-methylpiperidin-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

• ChemBase ID: 405901
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(C(=O)Nc2c(N3CC(CCC3)C)ccc(C(=O)N)c2)c(nc(o1)C)C
• Canonical SMILES: CC1CCCN(C1)c1ccc(cc1NC(=O)c1oc(nc1C)C)C(=O)N
• InChI: InChI=1S/C19H24N4O3/c1-11-5-4-8-23(10-11)16-7-6-14(18(20)24)9-15(16)22-19(25)17-12(2)21-13(3)26-17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H2,20,24)(H,22,25)
• InChIKey: RJKUTQONFUDZDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-carbamoyl-2-(3-methylpiperidin-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• IUPAC Traditional name: N-[5-carbamoyl-2-(3-methylpiperidin-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• Synonyms: N-[5-(aminocarbonyl)-2-(3-methylpiperidin-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.657335
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3540839
• LogD (pH = 7.4): 1.3552352
• Log P: 1.3554811
• Molar Refractivity: 101.3312 cm^3
• Polarizability: 36.784504 Å^3
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.82
• LOG S: -3.36
• Polar Surface Area: 101.46 Å^2
• Rotatable Bonds: 4