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

• ChemBase ID: 709177
• Molecular Formular: C27H29N5O
• Molecular Mass: 439.55206
• Monoisotopic Mass: 439.23721057
• SMILES: n1c(c(oc1c1ccc(cc1)c1ccccc1)C)CN1CCN(c2nc(cnc2C)C)CC1
• Canonical SMILES: Cc1cnc(c(n1)N1CCN(CC1)Cc1nc(oc1C)c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C27H29N5O/c1-19-17-28-20(2)26(29-19)32-15-13-31(14-16-32)18-25-21(3)33-27(30-25)24-11-9-23(10-12-24)22-7-5-4-6-8-22/h4-12,17H,13-16,18H2,1-3H3
• InChIKey: APUGSAJDWFLGGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.939612
• LogD (pH = 7.4): 3.9194036
• Log P: 3.9696555
• Molar Refractivity: 141.9067 cm^3
• Polarizability: 51.82388 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.48
• LOG S: -6.25
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 5