3-(oxolan-3-yl)-5-{pyrazolo[1,5-a]pyrimidin-2-yl}-1,2,4-oxadiazole

• ChemBase ID: 492015
• Molecular Formular: C12H11N5O2
• Molecular Mass: 257.24804
• Monoisotopic Mass: 257.09127462
• SMILES: c1(c2nc(no2)C2COCC2)nn2c(c1)nccc2
• Canonical SMILES: C1OCC(C1)c1noc(n1)c1nn2c(c1)nccc2
• InChI: InChI=1S/C12H11N5O2/c1-3-13-10-6-9(15-17(10)4-1)12-14-11(16-19-12)8-2-5-18-7-8/h1,3-4,6,8H,2,5,7H2
• InChIKey: KUDOYCVIYDWSMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-3-yl)-5-{pyrazolo[1,5-a]pyrimidin-2-yl}-1,2,4-oxadiazole
• IUPAC Traditional name: 3-(oxolan-3-yl)-5-{pyrazolo[1,5-a]pyrimidin-2-yl}-1,2,4-oxadiazole
• Synonyms: 2-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5455815
• LogD (pH = 7.4): 1.5455817
• Log P: 1.5455817
• Molar Refractivity: 87.7394 cm^3
• Polarizability: 25.109497 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.17
• LOG S: -2.24
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 2