4-[7-(5-ethyl-1,3-oxazole-4-carbonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine

• ChemBase ID: 373479
• Molecular Formular: C17H21N5O3
• Molecular Mass: 343.38034
• Monoisotopic Mass: 343.16443956
• SMILES: c1(C(=O)N2Cc3c(c(N4CCOCC4)ncn3)CC2)ncoc1CC
• Canonical SMILES: CCc1ocnc1C(=O)N1CCc2c(C1)ncnc2N1CCOCC1
• InChI: InChI=1S/C17H21N5O3/c1-2-14-15(20-11-25-14)17(23)22-4-3-12-13(9-22)18-10-19-16(12)21-5-7-24-8-6-21/h10-11H,2-9H2,1H3
• InChIKey: INZSIUNVSUYMCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[7-(5-ethyl-1,3-oxazole-4-carbonyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• IUPAC Traditional name: 4-[7-(5-ethyl-1,3-oxazole-4-carbonyl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• Synonyms: 7-[(5-ethyl-1,3-oxazol-4-yl)carbonyl]-4-(4-morpholinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.710568
• LogD (pH = 7.4): 0.72717184
• Log P: 0.7273878
• Molar Refractivity: 92.8218 cm^3
• Polarizability: 33.90969 Å^3
• Polar Surface Area: 84.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.39
• LOG S: -1.83
• Polar Surface Area: 84.59 Å^2
• Rotatable Bonds: 3