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

• ChemBase ID: 572963
• Molecular Formular: C14H12N4O2S
• Molecular Mass: 300.33568
• Monoisotopic Mass: 300.06809664
• SMILES: n1c(noc1CN(C(=O)c1cscc1)C)c1ncccc1
• Canonical SMILES: CN(C(=O)c1cscc1)Cc1onc(n1)c1ccccn1
• InChI: InChI=1S/C14H12N4O2S/c1-18(14(19)10-5-7-21-9-10)8-12-16-13(17-20-12)11-4-2-3-6-15-11/h2-7,9H,8H2,1H3
• InChIKey: ODISJOXBJBMUKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1808958
• LogD (pH = 7.4): 2.180896
• Log P: 2.180896
• Molar Refractivity: 89.4735 cm^3
• Polarizability: 29.651985 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.27
• LOG S: -2.48
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4