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

• ChemBase ID: 822843
• Molecular Formular: C19H20N2O5
• Molecular Mass: 356.3725
• Monoisotopic Mass: 356.13722175
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)N(Cc1oc(cc1)C)C
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)N(Cc1ccc(o1)C)C
• InChI: InChI=1S/C19H20N2O5/c1-13-7-8-16(26-13)10-21(2)19(22)17-11-25-18(20-17)12-24-15-6-4-5-14(9-15)23-3/h4-9,11H,10,12H2,1-3H3
• InChIKey: AZJZSMIEYZWJEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.065558
• LogD (pH = 7.4): 2.065558
• Log P: 2.065558
• Molar Refractivity: 94.2864 cm^3
• Polarizability: 35.741695 Å^3
• Polar Surface Area: 77.94 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: 2.32
• LOG S: -2.54
• Polar Surface Area: 77.94 Å^2
• Rotatable Bonds: 6