N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 864998
• Molecular Formular: C20H21N3O5
• Molecular Mass: 383.39784
• Monoisotopic Mass: 383.14812079
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)N(CC1OCCOC1)C
• Canonical SMILES: CN(C(=O)c1coc(n1)COc1cccc2c1nccc2)CC1COCCO1
• InChI: InChI=1S/C20H21N3O5/c1-23(10-15-11-25-8-9-26-15)20(24)16-12-28-18(22-16)13-27-17-6-2-4-14-5-3-7-21-19(14)17/h2-7,12,15H,8-11,13H2,1H3
• InChIKey: PYVWGHAIPCDBPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-(1,4-dioxan-2-ylmethyl)-N-methyl-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.1899694
• LogD (pH = 7.4): 1.1908823
• Log P: 1.190894
• Molar Refractivity: 99.3795 cm^3
• Polarizability: 39.60532 Å^3
• Polar Surface Area: 86.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.95
• LOG S: -2.49
• Polar Surface Area: 86.92 Å^2
• Rotatable Bonds: 6