methyl({[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}){[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 343578
• Molecular Formular: C24H21N5O2
• Molecular Mass: 411.45584
• Monoisotopic Mass: 411.16952494
• SMILES: c1(nc(c(o1)C)CN(Cc1nc(no1)c1cnccc1)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CN(Cc1nc(oc1C)c1cccc2c1cccc2)Cc1onc(n1)c1cccnc1
• InChI: InChI=1S/C24H21N5O2/c1-16-21(26-24(30-16)20-11-5-8-17-7-3-4-10-19(17)20)14-29(2)15-22-27-23(28-31-22)18-9-6-12-25-13-18/h3-13H,14-15H2,1-2H3
• InChIKey: UDUPXZFRHFVBNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}){[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: methyl({[5-methyl-2-(naphthalen-1-yl)-1,3-oxazol-4-yl]methyl}){[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: N-methyl-1-[5-methyl-2-(1-naphthyl)-1,3-oxazol-4-yl]-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.6364598
• LogD (pH = 7.4): 4.0969615
• Log P: 4.1074057
• Molar Refractivity: 139.2993 cm^3
• Polarizability: 47.01861 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.96
• LOG S: -3.79
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 6