N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide

• ChemBase ID: 563835
• Molecular Formular: C18H19N5O2S
• Molecular Mass: 369.44076
• Monoisotopic Mass: 369.12594587
• SMILES: n1c(noc1CN(C(=O)Cc1n2c(=NCCC2)sc1)C)c1ccccc1
• Canonical SMILES: O=C(N(Cc1onc(n1)c1ccccc1)C)Cc1csc2=NCCCn12
• InChI: InChI=1S/C18H19N5O2S/c1-22(11-15-20-17(21-25-15)13-6-3-2-4-7-13)16(24)10-14-12-26-18-19-8-5-9-23(14)18/h2-4,6-7,12H,5,8-11H2,1H3
• InChIKey: OEUNEZMQDVGMAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
• IUPAC Traditional name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
• Synonyms: 2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6308545
• LogD (pH = 7.4): 1.8003902
• Log P: 1.8898072
• Molar Refractivity: 113.5133 cm^3
• Polarizability: 38.603203 Å^3
• Polar Surface Area: 74.83 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: 2.03
• LOG S: -3.63
• Polar Surface Area: 74.83 Å^2
• Rotatable Bonds: 5