N-ethyl-N-(2-methylprop-2-en-1-yl)-5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carboxamide

• ChemBase ID: 858314
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: c1(noc(c1)COc1cnc(cc1)C)C(=O)N(CC(=C)C)CC
• Canonical SMILES: CCN(C(=O)c1noc(c1)COc1ccc(nc1)C)CC(=C)C
• InChI: InChI=1S/C17H21N3O3/c1-5-20(10-12(2)3)17(21)16-8-15(23-19-16)11-22-14-7-6-13(4)18-9-14/h6-9H,2,5,10-11H2,1,3-4H3
• InChIKey: GYFPCEOJFASTFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(2-methylprop-2-en-1-yl)-5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-N-(2-methylprop-2-en-1-yl)-5-{[(6-methylpyridin-3-yl)oxy]methyl}-1,2-oxazole-3-carboxamide
• Synonyms: N-ethyl-N-(2-methyl-2-propen-1-yl)-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5448415
• LogD (pH = 7.4): 1.7501168
• Log P: 1.7535537
• Molar Refractivity: 87.581 cm^3
• Polarizability: 32.957268 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: 2.0
• LOG S: -3.18
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6