N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 674942
• Molecular Formular: C16H20N6O2
• Molecular Mass: 328.369
• Monoisotopic Mass: 328.16477391
• SMILES: n12c(nc(cc1NCc1nc(on1)C1OCCC1)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCc2noc(n2)C2CCCO2)n2c(n1)ccn2
• InChI: InChI=1S/C16H20N6O2/c1-2-4-11-9-15(22-14(19-11)6-7-18-22)17-10-13-20-16(24-21-13)12-5-3-8-23-12/h6-7,9,12,17H,2-5,8,10H2,1H3
• InChIKey: OSRJVRXFTSMIAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-propyl-N-{[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.0910945
• LogD (pH = 7.4): 2.0911407
• Log P: 2.0911415
• Molar Refractivity: 99.9599 cm^3
• Polarizability: 32.902878 Å^3
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.12
• LOG S: -2.55
• Polar Surface Area: 90.37 Å^2
• Rotatable Bonds: 6