N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

• ChemBase ID: 840700
• Molecular Formular: C15H15N5O2S
• Molecular Mass: 329.3769
• Monoisotopic Mass: 329.09464575
• SMILES: n1c(noc1CN(C(=O)Cc1nc(sc1)C)C)c1ncccc1
• Canonical SMILES: O=C(N(Cc1onc(n1)c1ccccn1)C)Cc1csc(n1)C
• InChI: InChI=1S/C15H15N5O2S/c1-10-17-11(9-23-10)7-14(21)20(2)8-13-18-15(19-22-13)12-5-3-4-6-16-12/h3-6,9H,7-8H2,1-2H3
• InChIKey: SOLHZCVDMATCDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
• IUPAC Traditional name: N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
• Synonyms: N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6978056
• LogD (pH = 7.4): 1.6991576
• Log P: 1.6991749
• Molar Refractivity: 95.6962 cm^3
• Polarizability: 32.59114 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: 0.66
• LOG S: -2.17
• Polar Surface Area: 85.01 Å^2
• Rotatable Bonds: 5