4-(2-methyl-1,3-thiazole-4-carbonyl)-2-{[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}morpholine

• ChemBase ID: 489194
• Molecular Formular: C17H17N5O3S
• Molecular Mass: 371.41358
• Monoisotopic Mass: 371.10521043
• SMILES: c1(nc(sc1)C)C(=O)N1CC(Cc2nc(on2)c2ncccc2)OCC1
• Canonical SMILES: Cc1scc(n1)C(=O)N1CCOC(C1)Cc1noc(n1)c1ccccn1
• InChI: InChI=1S/C17H17N5O3S/c1-11-19-14(10-26-11)17(23)22-6-7-24-12(9-22)8-15-20-16(25-21-15)13-4-2-3-5-18-13/h2-5,10,12H,6-9H2,1H3
• InChIKey: GCHJLZCDBDVUMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5815833
• LogD (pH = 7.4): 1.5815862
• Log P: 1.5815864
• Molar Refractivity: 104.9631 cm^3
• Polarizability: 36.081535 Å^3
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.37
• LOG S: -2.9
• Polar Surface Area: 94.24 Å^2
• Rotatable Bonds: 4