1-cyclopentyl-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

• ChemBase ID: 314480
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: n1c(noc1CN1CCN(CC1)C1CCCC1)c1ncccc1
• Canonical SMILES: C1CCC(C1)N1CCN(CC1)Cc1onc(n1)c1ccccn1
• InChI: InChI=1S/C17H23N5O/c1-2-6-14(5-1)22-11-9-21(10-12-22)13-16-19-17(20-23-16)15-7-3-4-8-18-15/h3-4,7-8,14H,1-2,5-6,9-13H2
• InChIKey: AZSNAGBBNLMMDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
• IUPAC Traditional name: 1-cyclopentyl-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
• Synonyms: 1-cyclopentyl-4-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.39779368
• LogD (pH = 7.4): 1.3826153
• Log P: 2.5042927
• Molar Refractivity: 99.8893 cm^3
• Polarizability: 34.838917 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: 6
• H Donor: 0
• Log P: 2.09
• LOG S: -0.94
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4