3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperidine

• ChemBase ID: 366010
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: n1c(onc1CCOC)C1CN(Cc2cn(nc2)c2ccccc2)CCC1
• Canonical SMILES: COCCc1noc(n1)C1CCCN(C1)Cc1cnn(c1)c1ccccc1
• InChI: InChI=1S/C20H25N5O2/c1-26-11-9-19-22-20(27-23-19)17-6-5-10-24(15-17)13-16-12-21-25(14-16)18-7-3-2-4-8-18/h2-4,7-8,12,14,17H,5-6,9-11,13,15H2,1H3
• InChIKey: PGZDQQPUBROFJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperidine
• IUPAC Traditional name: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenylpyrazol-4-yl)methyl]piperidine
• Synonyms: 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.19674288
• LogD (pH = 7.4): 1.9819876
• Log P: 2.7651188
• Molar Refractivity: 105.4386 cm^3
• Polarizability: 40.008865 Å^3
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.8
• LOG S: -2.41
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 7