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

• ChemBase ID: 390588
• Molecular Formular: C17H19N3O5
• Molecular Mass: 345.34986
• Monoisotopic Mass: 345.13247072
• SMILES: c1(nc(oc1)COc1ccc(cc1)OC)C(=O)NC1C(=O)NCCC1
• Canonical SMILES: COc1ccc(cc1)OCc1occ(n1)C(=O)NC1CCCNC1=O
• InChI: InChI=1S/C17H19N3O5/c1-23-11-4-6-12(7-5-11)24-10-15-19-14(9-25-15)17(22)20-13-3-2-8-18-16(13)21/h4-7,9,13H,2-3,8,10H2,1H3,(H,18,21)(H,20,22)
• InChIKey: QRDBOPKMOFPIDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.1965685
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.37007135
• LogD (pH = 7.4): 0.3700653
• Log P: 0.37007144
• Molar Refractivity: 87.3263 cm^3
• Polarizability: 33.574303 Å^3
• Polar Surface Area: 102.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.51
• LOG S: -1.74
• Polar Surface Area: 102.69 Å^2
• Rotatable Bonds: 6