3-(3-methoxypropyl)-1-{3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}piperidine

• ChemBase ID: 473075
• Molecular Formular: C15H22N4O2
• Molecular Mass: 290.36078
• Monoisotopic Mass: 290.17427596
• SMILES: c1(c2c(onc2C)ncn1)N1CC(CCC1)CCCOC
• Canonical SMILES: COCCCC1CCCN(C1)c1ncnc2c1c(C)no2
• InChI: InChI=1S/C15H22N4O2/c1-11-13-14(16-10-17-15(13)21-18-11)19-7-3-5-12(9-19)6-4-8-20-2/h10,12H,3-9H2,1-2H3
• InChIKey: DEQYSOJAHNSEPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.941695
• LogD (pH = 7.4): 1.9453695
• Log P: 1.9454166
• Molar Refractivity: 82.2737 cm^3
• Polarizability: 30.838715 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: 1.28
• LOG S: -2.41
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5