2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

• ChemBase ID: 570890
• Molecular Formular: C14H19N5O2S
• Molecular Mass: 321.39796
• Monoisotopic Mass: 321.12594587
• SMILES: n1c(onc1C)CN(C(=O)C(Sc1nc(cc(n1)C)C)C)C
• Canonical SMILES: Cc1noc(n1)CN(C(=O)C(Sc1nc(C)cc(n1)C)C)C
• InChI: InChI=1S/C14H19N5O2S/c1-8-6-9(2)16-14(15-8)22-10(3)13(20)19(5)7-12-17-11(4)18-21-12/h6,10H,7H2,1-5H3
• InChIKey: SVQDOLYJIAVFDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• IUPAC Traditional name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
• Synonyms: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2906668
• LogD (pH = 7.4): 1.2940408
• Log P: 1.2940841
• Molar Refractivity: 86.132 cm^3
• Polarizability: 32.091602 Å^3
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.45
• LOG S: -2.78
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 5