4-{dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine

• ChemBase ID: 498009
• Molecular Formular: C16H20N6O3
• Molecular Mass: 344.3684
• Monoisotopic Mass: 344.15968853
• SMILES: c1(c2c(nc(n1)C)onc2C)N1CC(Cc2nc(on2)CC)OCC1
• Canonical SMILES: CCc1onc(n1)CC1OCCN(C1)c1nc(C)nc2c1c(C)no2
• InChI: InChI=1S/C16H20N6O3/c1-4-13-19-12(21-24-13)7-11-8-22(5-6-23-11)15-14-9(2)20-25-16(14)18-10(3)17-15/h11H,4-8H2,1-3H3
• InChIKey: LTCMPFLAWCFXGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
• IUPAC Traditional name: 4-{dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl}-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
• Synonyms: 4-{2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholin-4-yl}-3,6-dimethylisoxazolo[5,4-d]pyrimidine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 103.2 Å^2
• Rotatable Bonds: 4
• H Acceptors: 8
• H Donor: 0
• Log P: -0.8
• LOG S: -3.81

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 2.3340087
• LogD (pH = 7.4): 2.3341126
• Log P: 2.334114
• Molar Refractivity: 91.6537 cm^3
• Polarizability: 33.562134 Å^3
• Polar Surface Area: 103.2 Å^2