N-[(5-methylfuran-2-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 730844
• Molecular Formular: C20H17N3O4
• Molecular Mass: 363.36668
• Monoisotopic Mass: 363.12190604
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)NCc1oc(cc1)C
• Canonical SMILES: Cc1ccc(o1)CNC(=O)c1coc(n1)COc1cccc2c1nccc2
• InChI: InChI=1S/C20H17N3O4/c1-13-7-8-15(27-13)10-22-20(24)16-11-26-18(23-16)12-25-17-6-2-4-14-5-3-9-21-19(14)17/h2-9,11H,10,12H2,1H3,(H,22,24)
• InChIKey: VQNYGEWLGXLWPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylfuran-2-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[(5-methylfuran-2-yl)methyl]-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-[(5-methyl-2-furyl)methyl]-2-[(8-quinolinyloxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.030579
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1562831
• LogD (pH = 7.4): 2.1571872
• Log P: 2.157208
• Molar Refractivity: 96.8478 cm^3
• Polarizability: 37.945675 Å^3
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.23
• LOG S: -4.94
• Polar Surface Area: 90.39 Å^2
• Rotatable Bonds: 6