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

• ChemBase ID: 523640
• Molecular Formular: C20H26N2O5
• Molecular Mass: 374.43084
• Monoisotopic Mass: 374.18417194
• SMILES: c1(noc(c1)COc1c(OC)cccc1)C(=O)N(CCC1CCOCC1)C
• Canonical SMILES: COc1ccccc1OCc1onc(c1)C(=O)N(CCC1CCOCC1)C
• InChI: InChI=1S/C20H26N2O5/c1-22(10-7-15-8-11-25-12-9-15)20(23)17-13-16(27-21-17)14-26-19-6-4-3-5-18(19)24-2/h3-6,13,15H,7-12,14H2,1-2H3
• InChIKey: XTPWJQSERDJYPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxyphenoxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(2-methoxyphenoxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1391675
• LogD (pH = 7.4): 2.1391675
• Log P: 2.1391675
• Molar Refractivity: 101.3878 cm^3
• Polarizability: 38.524284 Å^3
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.31
• LOG S: -2.95
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 7