5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 751179
• Molecular Formular: C16H14N6O
• Molecular Mass: 306.32196
• Monoisotopic Mass: 306.1229091
• SMILES: n12c(nc(cc1NCc1nc(on1)c1ccccc1)C)ccn2
• Canonical SMILES: Cc1cc(NCc2noc(n2)c2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C16H14N6O/c1-11-9-15(22-14(19-11)7-8-18-22)17-10-13-20-16(23-21-13)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
• InChIKey: CDSKVDKELVLRRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.545007
• LogD (pH = 7.4): 2.5450559
• Log P: 2.5450563
• Molar Refractivity: 107.6532 cm^3
• Polarizability: 32.11259 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.57
• LOG S: -3.63
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4