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

• ChemBase ID: 820769
• Molecular Formular: C18H16FN5O
• Molecular Mass: 337.3509432
• Monoisotopic Mass: 337.13388838
• SMILES: n12c(nc(cc1NCc1cc(no1)c1c(F)cccc1)CC)ccn2
• Canonical SMILES: CCc1cc(NCc2onc(c2)c2ccccc2F)n2c(n1)ccn2
• InChI: InChI=1S/C18H16FN5O/c1-2-12-9-18(24-17(22-12)7-8-21-24)20-11-13-10-16(23-25-13)14-5-3-4-6-15(14)19/h3-10,20H,2,11H2,1H3
• InChIKey: CJZORHBHHVNEOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2316976
• LogD (pH = 7.4): 3.2317445
• Log P: 3.231745
• Molar Refractivity: 103.3518 cm^3
• Polarizability: 35.15852 Å^3
• Polar Surface Area: 68.25 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: 3.16
• LOG S: -4.36
• Polar Surface Area: 68.25 Å^2
• Rotatable Bonds: 5