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

• ChemBase ID: 671319
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: c1(noc(c1)CN1CCC(CC1)O)C(=O)NCCCc1ccccc1
• Canonical SMILES: OC1CCN(CC1)Cc1onc(c1)C(=O)NCCCc1ccccc1
• InChI: InChI=1S/C19H25N3O3/c23-16-8-11-22(12-9-16)14-17-13-18(21-25-17)19(24)20-10-4-7-15-5-2-1-3-6-15/h1-3,5-6,13,16,23H,4,7-12,14H2,(H,20,24)
• InChIKey: DJMUIHPUMARXCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-hydroxypiperidin-1-yl)methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-[(4-hydroxypiperidin-1-yl)methyl]-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(4-hydroxypiperidin-1-yl)methyl]-N-(3-phenylpropyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.21642
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.05069809
• LogD (pH = 7.4): 1.3229675
• Log P: 1.4351183
• Molar Refractivity: 97.2162 cm^3
• Polarizability: 36.744877 Å^3
• Polar Surface Area: 78.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.04
• LOG S: -3.05
• Polar Surface Area: 78.6 Å^2
• Rotatable Bonds: 7