N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

• ChemBase ID: 653080
• Molecular Formular: C16H23N5O2S
• Molecular Mass: 349.45112
• Monoisotopic Mass: 349.157246
• SMILES: c1(nc(no1)C)C1N(CC(=O)Nc2nc(cs2)C(C)(C)C)CCC1
• Canonical SMILES: O=C(Nc1scc(n1)C(C)(C)C)CN1CCCC1c1onc(n1)C
• InChI: InChI=1S/C16H23N5O2S/c1-10-17-14(23-20-10)11-6-5-7-21(11)8-13(22)19-15-18-12(9-24-15)16(2,3)4/h9,11H,5-8H2,1-4H3,(H,18,19,22)
• InChIKey: PGIVFHNKLYMNQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
• IUPAC Traditional name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide
• Synonyms: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.612226
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.0808597
• LogD (pH = 7.4): 3.2141345
• Log P: 3.2163918
• Molar Refractivity: 93.792 cm^3
• Polarizability: 34.981537 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.57
• LOG S: -3.94
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 5