4-(benzyloxy)-1-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}piperidine

• ChemBase ID: 444098
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c12c(N3CCC(CC3)OCc3ccccc3)ncnc2oc(n1)CC
• Canonical SMILES: CCc1oc2c(n1)c(ncn2)N1CCC(CC1)OCc1ccccc1
• InChI: InChI=1S/C19H22N4O2/c1-2-16-22-17-18(20-13-21-19(17)25-16)23-10-8-15(9-11-23)24-12-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3
• InChIKey: OZJTULMGNKMFLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(benzyloxy)-1-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}piperidine
• IUPAC Traditional name: 4-(benzyloxy)-1-{2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl}piperidine
• Synonyms: 7-[4-(benzyloxy)-1-piperidinyl]-2-ethyl[1,3]oxazolo[5,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9753735
• LogD (pH = 7.4): 2.9755757
• Log P: 2.9755783
• Molar Refractivity: 96.2378 cm^3
• Polarizability: 36.729992 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.36
• LOG S: -3.68
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5