N-ethyl-N-(2-methylprop-2-en-1-yl)-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 398866
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)N(CC(=C)C)CC
• Canonical SMILES: CCN(C(=O)c1coc(n1)COc1cccc2c1nccc2)CC(=C)C
• InChI: InChI=1S/C20H21N3O3/c1-4-23(11-14(2)3)20(24)16-12-26-18(22-16)13-25-17-9-5-7-15-8-6-10-21-19(15)17/h5-10,12H,2,4,11,13H2,1,3H3
• InChIKey: SEXPTJSMIWNABO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2-methylprop-2-en-1-yl)-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-ethyl-N-(2-methylprop-2-en-1-yl)-2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: N-ethyl-N-(2-methyl-2-propen-1-yl)-2-[(8-quinolinyloxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7270973
• LogD (pH = 7.4): 2.7280104
• Log P: 2.7280219
• Molar Refractivity: 97.7846 cm^3
• Polarizability: 38.679947 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.33
• LOG S: -3.23
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6