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

• ChemBase ID: 513305
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: c1(C(=O)NC2CN(CCCc3ccccc3)CCC2)ncoc1C
• Canonical SMILES: O=C(c1ncoc1C)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H25N3O2/c1-15-18(20-14-24-15)19(23)21-17-10-6-12-22(13-17)11-5-9-16-7-3-2-4-8-16/h2-4,7-8,14,17H,5-6,9-13H2,1H3,(H,21,23)
• InChIKey: IIQHJUWWWUTVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.354396
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1521214
• LogD (pH = 7.4): 1.6216606
• Log P: 2.5167773
• Molar Refractivity: 94.7191 cm^3
• Polarizability: 35.96231 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.89
• LOG S: -3.47
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6