N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 447105
• Molecular Formular: C19H24N2O5
• Molecular Mass: 360.40426
• Monoisotopic Mass: 360.16852188
• SMILES: c1(nc(oc1)COc1cc(OC)ccc1)C(=O)NC1CC(OCC1)(C)C
• Canonical SMILES: COc1cccc(c1)OCc1occ(n1)C(=O)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C19H24N2O5/c1-19(2)10-13(7-8-26-19)20-18(22)16-11-25-17(21-16)12-24-15-6-4-5-14(9-15)23-3/h4-6,9,11,13H,7-8,10,12H2,1-3H3,(H,20,22)
• InChIKey: GBTZTPJHDQQUJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-2-(3-methoxyphenoxymethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.334429
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5159386
• LogD (pH = 7.4): 1.5159342
• Log P: 1.5159388
• Molar Refractivity: 94.769 cm^3
• Polarizability: 36.68607 Å^3
• Polar Surface Area: 82.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.08
• LOG S: -3.95
• Polar Surface Area: 82.82 Å^2
• Rotatable Bonds: 5