2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}piperidine

• ChemBase ID: 699384
• Molecular Formular: C26H28N4O2
• Molecular Mass: 428.52612
• Monoisotopic Mass: 428.22122616
• SMILES: n1c(c(oc1c1cc(Oc2ccccc2)ccc1)C)CN1C(c2n(ccn2)C)CCCC1
• Canonical SMILES: Cc1oc(nc1CN1CCCCC1c1nccn1C)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C26H28N4O2/c1-19-23(18-30-15-7-6-13-24(30)25-27-14-16-29(25)2)28-26(31-19)20-9-8-12-22(17-20)32-21-10-4-3-5-11-21/h3-5,8-12,14,16-17,24H,6-7,13,15,18H2,1-2H3
• InChIKey: LHSVEIZNSRIBEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}piperidine
• IUPAC Traditional name: 1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}-2-(1-methylimidazol-2-yl)piperidine
• Synonyms: 2-(1-methyl-1H-imidazol-2-yl)-1-{[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.6172454
• LogD (pH = 7.4): 4.577882
• Log P: 4.627793
• Molar Refractivity: 134.9584 cm^3
• Polarizability: 48.699657 Å^3
• Polar Surface Area: 56.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.87
• LOG S: -5.37
• Polar Surface Area: 56.32 Å^2
• Rotatable Bonds: 6