2-{[(7-methoxynaphthalen-2-yl)oxy]methyl}-N-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 692546
• Molecular Formular: C22H24N2O5
• Molecular Mass: 396.43636
• Monoisotopic Mass: 396.16852188
• SMILES: c1(nc(oc1)COc1cc2c(cc1)ccc(c2)OC)C(=O)N(CC1OCCC1)C
• Canonical SMILES: COc1ccc2c(c1)cc(cc2)OCc1occ(n1)C(=O)N(CC1CCCO1)C
• InChI: InChI=1S/C22H24N2O5/c1-24(12-19-4-3-9-27-19)22(25)20-13-29-21(23-20)14-28-18-8-6-15-5-7-17(26-2)10-16(15)11-18/h5-8,10-11,13,19H,3-4,9,12,14H2,1-2H3
• InChIKey: HKQGJBRDXRRXSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(7-methoxynaphthalen-2-yl)oxy]methyl}-N-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-{[(7-methoxynaphthalen-2-yl)oxy]methyl}-N-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
• Synonyms: 2-{[(7-methoxy-2-naphthyl)oxy]methyl}-N-methyl-N-(tetrahydrofuran-2-ylmethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4893427
• LogD (pH = 7.4): 2.4893427
• Log P: 2.4893427
• Molar Refractivity: 106.8381 cm^3
• Polarizability: 42.290344 Å^3
• Polar Surface Area: 74.03 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: 0.79
• LOG S: -2.77
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 7