5-ethyl-N-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 859371
• Molecular Formular: C16H15N5O2
• Molecular Mass: 309.3226
• Monoisotopic Mass: 309.12257475
• SMILES: n12c(nc(cc1NCc1cc(on1)c1occc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2noc(c2)c2ccco2)n2c(n1)ccn2
• InChI: InChI=1S/C16H15N5O2/c1-2-11-9-16(21-15(19-11)5-6-18-21)17-10-12-8-14(23-20-12)13-4-3-7-22-13/h3-9,17H,2,10H2,1H3
• InChIKey: ZIPLSNJUQOXGCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-N-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-N-{[5-(2-furyl)isoxazol-3-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8448638
• LogD (pH = 7.4): 1.8449107
• Log P: 1.8449113
• Molar Refractivity: 95.3761 cm^3
• Polarizability: 32.383892 Å^3
• Polar Surface Area: 81.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.28
• LOG S: -3.4
• Polar Surface Area: 81.39 Å^2
• Rotatable Bonds: 5