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

• ChemBase ID: 564007
• Molecular Formular: C19H22N4O3S
• Molecular Mass: 386.46798
• Monoisotopic Mass: 386.14126158
• SMILES: c1(nc(on1)CCC(=O)NCCc1nc(cs1)CC)c1c(OC)cccc1
• Canonical SMILES: CCc1csc(n1)CCNC(=O)CCc1onc(n1)c1ccccc1OC
• InChI: InChI=1S/C19H22N4O3S/c1-3-13-12-27-18(21-13)10-11-20-16(24)8-9-17-22-19(23-26-17)14-6-4-5-7-15(14)25-2/h4-7,12H,3,8-11H2,1-2H3,(H,20,24)
• InChIKey: OEEQVLQRBOAQTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.886847
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9164386
• LogD (pH = 7.4): 2.9166827
• Log P: 2.9166858
• Molar Refractivity: 113.6671 cm^3
• Polarizability: 39.656155 Å^3
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.42
• LOG S: -3.23
• Polar Surface Area: 90.14 Å^2
• Rotatable Bonds: 9