2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-3-(piperidine-1-carbonyl)pyrazine

• ChemBase ID: 616314
• Molecular Formular: C16H19N5O3
• Molecular Mass: 329.35376
• Monoisotopic Mass: 329.14878949
• SMILES: c1(nc(no1)C1COCC1)c1c(C(=O)N2CCCCC2)nccn1
• Canonical SMILES: O=C(c1nccnc1c1onc(n1)C1COCC1)N1CCCCC1
• InChI: InChI=1S/C16H19N5O3/c22-16(21-7-2-1-3-8-21)13-12(17-5-6-18-13)15-19-14(20-24-15)11-4-9-23-10-11/h5-6,11H,1-4,7-10H2
• InChIKey: MHEMSFJBYUKZGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-3-(piperidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-3-(piperidine-1-carbonyl)pyrazine
• Synonyms: 2-(piperidin-1-ylcarbonyl)-3-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.73778266
• LogD (pH = 7.4): 0.7377827
• Log P: 0.7377827
• Molar Refractivity: 96.3518 cm^3
• Polarizability: 32.60093 Å^3
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.33
• LOG S: -2.63
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 3