2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine

• ChemBase ID: 500049
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(C(=O)N2C(CCn3c(ncc3)C)CCCC2)noc(c1)c1ccccc1
• Canonical SMILES: O=C(N1CCCCC1CCn1ccnc1C)c1noc(c1)c1ccccc1
• InChI: InChI=1S/C21H24N4O2/c1-16-22-11-14-24(16)13-10-18-9-5-6-12-25(18)21(26)19-15-20(27-23-19)17-7-3-2-4-8-17/h2-4,7-8,11,14-15,18H,5-6,9-10,12-13H2,1H3
• InChIKey: FRMZEALBHFFPMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
• IUPAC Traditional name: 2-[2-(2-methylimidazol-1-yl)ethyl]-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
• Synonyms: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-[(5-phenyl-3-isoxazolyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5760751
• LogD (pH = 7.4): 2.3440008
• Log P: 2.5889452
• Molar Refractivity: 104.0723 cm^3
• Polarizability: 40.44233 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.11
• LOG S: -2.81
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5