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

• ChemBase ID: 356307
• Molecular Formular: C18H19N3O5
• Molecular Mass: 357.36056
• Monoisotopic Mass: 357.13247072
• SMILES: c1(noc(c1)COc1c(OC)cccc1)C(=O)N(Cc1onc(c1)C)C
• Canonical SMILES: COc1ccccc1OCc1onc(c1)C(=O)N(Cc1onc(c1)C)C
• InChI: InChI=1S/C18H19N3O5/c1-12-8-13(25-19-12)10-21(2)18(22)15-9-14(26-20-15)11-24-17-7-5-4-6-16(17)23-3/h4-9H,10-11H2,1-3H3
• InChIKey: ZPIPTNIBDVGOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4911511
• LogD (pH = 7.4): 1.4911554
• Log P: 1.4911555
• Molar Refractivity: 93.9399 cm^3
• Polarizability: 34.902866 Å^3
• Polar Surface Area: 90.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.21
• LOG S: -2.94
• Polar Surface Area: 90.83 Å^2
• Rotatable Bonds: 7