4-(1-benzyl-1H-imidazol-2-yl)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidine

• ChemBase ID: 441401
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)Cc3ccccc3)CC2)c(onc1CC)C
• Canonical SMILES: CCc1noc(c1C(=O)N1CCC(CC1)c1nccn1Cc1ccccc1)C
• InChI: InChI=1S/C22H26N4O2/c1-3-19-20(16(2)28-24-19)22(27)25-12-9-18(10-13-25)21-23-11-14-26(21)15-17-7-5-4-6-8-17/h4-8,11,14,18H,3,9-10,12-13,15H2,1-2H3
• InChIKey: KECATLQPLFRJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzyl-1H-imidazol-2-yl)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidine
• IUPAC Traditional name: 4-(1-benzylimidazol-2-yl)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidine
• Synonyms: 4-(1-benzyl-1H-imidazol-2-yl)-1-[(3-ethyl-5-methylisoxazol-4-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2284095
• LogD (pH = 7.4): 2.8615596
• Log P: 2.889697
• Molar Refractivity: 109.4409 cm^3
• Polarizability: 40.762386 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: 1.67
• LOG S: -3.38
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5