N-methyl-2-(morpholin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide

• ChemBase ID: 313620
• Molecular Formular: C19H20N6O3
• Molecular Mass: 380.4005
• Monoisotopic Mass: 380.15968853
• SMILES: n1c(noc1CN(C(=O)c1cnc(nc1)N1CCOCC1)C)c1ccccc1
• Canonical SMILES: CN(C(=O)c1cnc(nc1)N1CCOCC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H20N6O3/c1-24(13-16-22-17(23-28-16)14-5-3-2-4-6-14)18(26)15-11-20-19(21-12-15)25-7-9-27-10-8-25/h2-6,11-12H,7-10,13H2,1H3
• InChIKey: KQFPVTPRSMCPQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide
• IUPAC Traditional name: N-methyl-2-(morpholin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carboxamide
• Synonyms: N-methyl-2-(4-morpholinyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.8532438
• LogD (pH = 7.4): 1.8532925
• Log P: 1.8532932
• Molar Refractivity: 115.01 cm^3
• Polarizability: 38.552998 Å^3
• Polar Surface Area: 97.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.49
• LOG S: -3.25
• Polar Surface Area: 97.48 Å^2
• Rotatable Bonds: 5