N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 680913
• Molecular Formular: C15H21N5O
• Molecular Mass: 287.36014
• Monoisotopic Mass: 287.17461032
• SMILES: n12c(nc(cc1NCC1ON=C(C1)CC)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCC2ON=C(C2)CC)n2c(n1)ccn2
• InChI: InChI=1S/C15H21N5O/c1-3-5-12-9-15(20-14(18-12)6-7-17-20)16-10-13-8-11(4-2)19-21-13/h6-7,9,13,16H,3-5,8,10H2,1-2H3
• InChIKey: PKNLSYNJVDYBFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5062902
• LogD (pH = 7.4): 2.5122795
• Log P: 2.5123565
• Molar Refractivity: 92.0073 cm^3
• Polarizability: 30.716036 Å^3
• Polar Surface Area: 63.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.23
• LOG S: -4.05
• Polar Surface Area: 63.81 Å^2
• Rotatable Bonds: 6