4-(2-ethyl-4-methyl-1,3-oxazole-5-amido)-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 849601
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(c(nc(o1)CC)C)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
• Canonical SMILES: CCc1oc(c(n1)C)C(=O)NC1CCN(CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C19H24N4O3/c1-3-16-20-13(2)17(26-16)18(24)21-15-9-11-23(12-10-15)19(25)22-14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3,(H,21,24)(H,22,25)
• InChIKey: OWKQUBAESAAMEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-ethyl-4-methyl-1,3-oxazole-5-amido)-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-(2-ethyl-4-methyl-1,3-oxazole-5-amido)-N-phenylpiperidine-1-carboxamide
• Synonyms: 4-{[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]amino}-N-phenylpiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.333683
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0258242
• LogD (pH = 7.4): 1.0258244
• Log P: 1.0258249
• Molar Refractivity: 99.1332 cm^3
• Polarizability: 36.80531 Å^3
• Polar Surface Area: 87.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.62
• LOG S: -2.33
• Polar Surface Area: 87.47 Å^2
• Rotatable Bonds: 4