3-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 529666
• Molecular Formular: C17H16FN5O2
• Molecular Mass: 341.3396432
• Monoisotopic Mass: 341.128803
• SMILES: n12c(nc(cc1NCCN1C(=O)OCC1)c1c(F)cccc1)ccn2
• Canonical SMILES: O=C1OCCN1CCNc1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C17H16FN5O2/c18-13-4-2-1-3-12(13)14-11-16(23-15(21-14)5-6-20-23)19-7-8-22-9-10-25-17(22)24/h1-6,11,19H,7-10H2
• InChIKey: DVVYZMSGMLVGDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-1,3-oxazolidin-2-one
• Synonyms: 3-(2-{[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}ethyl)-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.084088
• LogD (pH = 7.4): 2.084124
• Log P: 2.0841243
• Molar Refractivity: 100.1462 cm^3
• Polarizability: 34.541298 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.39
• LOG S: -3.73
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 5