N-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-N,2,2,6,6-pentamethylpiperidin-4-amine

• ChemBase ID: 382245
• Molecular Formular: C26H35N3O2
• Molecular Mass: 421.575
• Monoisotopic Mass: 421.27292738
• SMILES: c1(nc(c(o1)C)CN(C1CC(NC(C1)(C)C)(C)C)C)c1c2c(c(cc1)OC)cccc2
• Canonical SMILES: COc1ccc(c2c1cccc2)c1nc(c(o1)C)CN(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C26H35N3O2/c1-17-22(16-29(6)18-14-25(2,3)28-26(4,5)15-18)27-24(31-17)21-12-13-23(30-7)20-11-9-8-10-19(20)21/h8-13,18,28H,14-16H2,1-7H3
• InChIKey: JYNVUCGYBAKNIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-N,2,2,6,6-pentamethylpiperidin-4-amine
• IUPAC Traditional name: N-{[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl}-N,2,2,6,6-pentamethylpiperidin-4-amine
• Synonyms: N-{[2-(4-methoxy-1-naphthyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N,2,2,6,6-pentamethyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6242962
• LogD (pH = 7.4): 0.9937123
• Log P: 4.0322046
• Molar Refractivity: 136.223 cm^3
• Polarizability: 51.02827 Å^3
• Polar Surface Area: 50.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.85
• LOG S: -4.24
• Polar Surface Area: 50.53 Å^2
• Rotatable Bonds: 4