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

• ChemBase ID: 626783
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c12c(N3CC(c4n(ccn4)CCOC)CCC3)ncnc2oc(n1)CC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1ncnc2c1nc(o2)CC
• InChI: InChI=1S/C18H24N6O2/c1-3-14-22-15-17(20-12-21-18(15)26-14)24-7-4-5-13(11-24)16-19-6-8-23(16)9-10-25-2/h6,8,12-13H,3-5,7,9-11H2,1-2H3
• InChIKey: CJKHBLJIKLQQSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.9728655
• LogD (pH = 7.4): 1.788449
• Log P: 1.896824
• Molar Refractivity: 98.1276 cm^3
• Polarizability: 37.101597 Å^3
• Polar Surface Area: 82.1 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.32
• LOG S: -3.38
• Polar Surface Area: 82.1 Å^2
• Rotatable Bonds: 6