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

• ChemBase ID: 574918
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(C(=O)N2CC(c3n(ccn3)Cc3ccccc3)CCC2)ncoc1C
• Canonical SMILES: O=C(c1ncoc1C)N1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C20H22N4O2/c1-15-18(22-14-26-15)20(25)24-10-5-8-17(13-24)19-21-9-11-23(19)12-16-6-3-2-4-7-16/h2-4,6-7,9,11,14,17H,5,8,10,12-13H2,1H3
• InChIKey: NDVSBWSBPMPENN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5295517
• LogD (pH = 7.4): 2.1503615
• Log P: 2.176895
• Molar Refractivity: 98.9639 cm^3
• Polarizability: 37.16466 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.76
• LOG S: -2.4
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 4