N,2,2,6,6-pentamethyl-N-{[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-amine

• ChemBase ID: 530374
• Molecular Formular: C25H33N3O
• Molecular Mass: 391.54902
• Monoisotopic Mass: 391.26236269
• SMILES: c1(nc(c(o1)C)CN(C1CC(NC(C1)(C)C)(C)C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)Cc1nc(oc1C)c1cccc2c1cccc2
• InChI: InChI=1S/C25H33N3O/c1-17-22(16-28(6)19-14-24(2,3)27-25(4,5)15-19)26-23(29-17)21-13-9-11-18-10-7-8-12-20(18)21/h7-13,19,27H,14-16H2,1-6H3
• InChIKey: LLUOKERBCRBDFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.46364656
• LogD (pH = 7.4): 1.152165
• Log P: 4.1898756
• Molar Refractivity: 129.7598 cm^3
• Polarizability: 48.552948 Å^3
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.83
• LOG S: -4.23
• Polar Surface Area: 41.3 Å^2
• Rotatable Bonds: 4