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

• ChemBase ID: 793511
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)Cc3ccccc3)CC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)N1CCC(CC1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C21H24N4O2/c1-2-18-19(23-15-27-18)21(26)24-11-8-17(9-12-24)20-22-10-13-25(20)14-16-6-4-3-5-7-16/h3-7,10,13,15,17H,2,8-9,11-12,14H2,1H3
• InChIKey: ZNWNFYKSOFMZLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8822292
• LogD (pH = 7.4): 2.5153723
• Log P: 2.5435097
• Molar Refractivity: 103.6419 cm^3
• Polarizability: 39.00267 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: 1.25
• LOG S: -2.92
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 5