5-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(oxolane-3-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 485276
• Molecular Formular: C20H20N4O4
• Molecular Mass: 380.3972
• Monoisotopic Mass: 380.14845514
• SMILES: c1(nc(c2cocc2)on1)c1c2c(CN(C(=O)C3COCC3)CC2)cnc1C
• Canonical SMILES: O=C(N1CCc2c(C1)cnc(c2c1noc(n1)c1cocc1)C)C1COCC1
• InChI: InChI=1S/C20H20N4O4/c1-12-17(18-22-19(28-23-18)13-3-6-26-10-13)16-2-5-24(9-15(16)8-21-12)20(25)14-4-7-27-11-14/h3,6,8,10,14H,2,4-5,7,9,11H2,1H3
• InChIKey: FBZZJLRNDFLTCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(oxolane-3-carbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 5-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(oxolane-3-carbonyl)-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 5-[5-(3-furyl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-(tetrahydro-3-furanylcarbonyl)-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6308075
• LogD (pH = 7.4): 1.6538434
• Log P: 1.6541456
• Molar Refractivity: 122.254 cm^3
• Polarizability: 38.947613 Å^3
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.59
• LOG S: -2.48
• Polar Surface Area: 94.49 Å^2
• Rotatable Bonds: 3