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

• ChemBase ID: 586255
• Molecular Formular: C25H25N3O
• Molecular Mass: 383.4855
• Monoisotopic Mass: 383.19976244
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)CN1CCN(CC1)c1ccccc1
• Canonical SMILES: Cc1oc(nc1CN1CCN(CC1)c1ccccc1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C25H25N3O/c1-19-24(18-27-13-15-28(16-14-27)23-9-3-2-4-10-23)26-25(29-19)22-12-11-20-7-5-6-8-21(20)17-22/h2-12,17H,13-16,18H2,1H3
• InChIKey: KPTQPTPKQCOGAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3735092
• LogD (pH = 7.4): 4.742379
• Log P: 4.8900537
• Molar Refractivity: 128.038 cm^3
• Polarizability: 46.703125 Å^3
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.49
• LOG S: -5.38
• Polar Surface Area: 32.51 Å^2
• Rotatable Bonds: 4