N,N-dimethyl-5-{2-[1-(propan-2-yl)piperidin-4-yl]acetyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 584813
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: c1(c2CN(C(=O)CC3CCN(CC3)C(C)C)CCc2on1)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)c(no2)C(=O)N(C)C)CC1CCN(CC1)C(C)C
• InChI: InChI=1S/C19H30N4O3/c1-13(2)22-8-5-14(6-9-22)11-17(24)23-10-7-16-15(12-23)18(20-26-16)19(25)21(3)4/h13-14H,5-12H2,1-4H3
• InChIKey: WKKBMZWMRZUFNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-{2-[1-(propan-2-yl)piperidin-4-yl]acetyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-[2-(1-isopropylpiperidin-4-yl)acetyl]-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: 5-[(1-isopropyl-4-piperidinyl)acetyl]-N,N-dimethyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.9649746
• LogD (pH = 7.4): -1.5548536
• Log P: 0.36972353
• Molar Refractivity: 101.58 cm^3
• Polarizability: 38.0845 Å^3
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.56
• LOG S: -2.67
• Polar Surface Area: 69.89 Å^2
• Rotatable Bonds: 4