2,5-dimethyl-3-(4-{[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrazine

• ChemBase ID: 396592
• Molecular Formular: C25H27N5O
• Molecular Mass: 413.51478
• Monoisotopic Mass: 413.22156051
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)CN1CCN(c2nc(cnc2C)C)CC1
• Canonical SMILES: Cc1cnc(c(n1)N1CCN(CC1)Cc1nc(oc1C)c1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C25H27N5O/c1-17-15-26-18(2)24(27-17)30-12-10-29(11-13-30)16-23-19(3)31-25(28-23)22-9-8-20-6-4-5-7-21(20)14-22/h4-9,14-15H,10-13,16H2,1-3H3
• InChIKey: AGFNYZYFUFGFBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-(4-{[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-(4-{[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl}piperazin-1-yl)pyrazine
• Synonyms: 2,5-dimethyl-3-(4-{[5-methyl-2-(2-naphthyl)-1,3-oxazol-4-yl]methyl}-1-piperazinyl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2903533
• LogD (pH = 7.4): 3.2626724
• Log P: 3.311907
• Molar Refractivity: 133.2207 cm^3
• Polarizability: 48.36876 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.77
• LOG S: -5.53
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4