5-(2-methoxyphenoxymethyl)-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 702214
• Molecular Formular: C18H20N4O4
• Molecular Mass: 356.3758
• Monoisotopic Mass: 356.14845514
• SMILES: c1(noc(c1)COc1c(OC)cccc1)C(=O)N(Cc1cn(nc1)C)C
• Canonical SMILES: COc1ccccc1OCc1onc(c1)C(=O)N(Cc1cnn(c1)C)C
• InChI: InChI=1S/C18H20N4O4/c1-21(10-13-9-19-22(2)11-13)18(23)15-8-14(26-20-15)12-25-17-7-5-4-6-16(17)24-3/h4-9,11H,10,12H2,1-3H3
• InChIKey: FMYWLLLNAQWITA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxyphenoxymethyl)-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(2-methoxyphenoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5030185
• LogD (pH = 7.4): 1.5030979
• Log P: 1.5030988
• Molar Refractivity: 106.9323 cm^3
• Polarizability: 35.689037 Å^3
• Polar Surface Area: 82.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.59
• LOG S: -2.6
• Polar Surface Area: 82.62 Å^2
• Rotatable Bonds: 7