N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 424505
• Molecular Formular: C19H21N5O2S
• Molecular Mass: 383.46734
• Monoisotopic Mass: 383.14159594
• SMILES: C(=O)(N1C(c2nccs2)CCCC1)Nc1cc(c2nc(no2)CC)ccc1
• Canonical SMILES: CCc1noc(n1)c1cccc(c1)NC(=O)N1CCCCC1c1nccs1
• InChI: InChI=1S/C19H21N5O2S/c1-2-16-22-17(26-23-16)13-6-5-7-14(12-13)21-19(25)24-10-4-3-8-15(24)18-20-9-11-27-18/h5-7,9,11-12,15H,2-4,8,10H2,1H3,(H,21,25)
• InChIKey: OPHPEVPCLUAKMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.013091
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9830022
• LogD (pH = 7.4): 3.9831672
• Log P: 3.9831703
• Molar Refractivity: 115.3954 cm^3
• Polarizability: 39.372524 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.99
• LOG S: -4.55
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 4