N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(propan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

• ChemBase ID: 398613
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: N1=C(CC(O1)C(=O)NCc1c2c(cnc1C)CNCC2)C(C)C
• Canonical SMILES: O=C(C1ON=C(C1)C(C)C)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C17H24N4O2/c1-10(2)15-6-16(23-21-15)17(22)20-9-14-11(3)19-8-12-7-18-5-4-13(12)14/h8,10,16,18H,4-7,9H2,1-3H3,(H,20,22)
• InChIKey: WXXFROMTZUOUIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-(propan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: 3-isopropyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• Synonyms: 3-isopropyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4,5-dihydro-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.81305
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.0164092
• LogD (pH = 7.4): -0.47802445
• Log P: 1.0186654
• Molar Refractivity: 87.9941 cm^3
• Polarizability: 34.068504 Å^3
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.47
• LOG S: -0.61
• Polar Surface Area: 75.61 Å^2
• Rotatable Bonds: 4