N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

• ChemBase ID: 566697
• Molecular Formular: C14H20N4O2S
• Molecular Mass: 308.3992
• Monoisotopic Mass: 308.1306969
• SMILES: c1(nnc(o1)CC)CN(C(=O)CCc1c(ncs1)C)CC
• Canonical SMILES: CCN(C(=O)CCc1scnc1C)Cc1nnc(o1)CC
• InChI: InChI=1S/C14H20N4O2S/c1-4-12-16-17-13(20-12)8-18(5-2)14(19)7-6-11-10(3)15-9-21-11/h9H,4-8H2,1-3H3
• InChIKey: BANHOBZFWGIGOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• IUPAC Traditional name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
• Synonyms: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5777291
• LogD (pH = 7.4): 0.5780583
• Log P: 0.5780625
• Molar Refractivity: 82.0016 cm^3
• Polarizability: 30.507586 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.91
• LOG S: -2.23
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 7