N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[4-(thiophene-3-carbonyl)morpholin-3-yl]acetamide

• ChemBase ID: 744603
• Molecular Formular: C16H20N4O4S
• Molecular Mass: 364.4194
• Monoisotopic Mass: 364.12052614
• SMILES: C(=O)(N1C(CC(=O)NCCc2nc(on2)C)COCC1)c1cscc1
• Canonical SMILES: O=C(CC1COCCN1C(=O)c1cscc1)NCCc1noc(n1)C
• InChI: InChI=1S/C16H20N4O4S/c1-11-18-14(19-24-11)2-4-17-15(21)8-13-9-23-6-5-20(13)16(22)12-3-7-25-10-12/h3,7,10,13H,2,4-6,8-9H2,1H3,(H,17,21)
• InChIKey: CWJBOURLYVQJEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[4-(thiophene-3-carbonyl)morpholin-3-yl]acetamide
• IUPAC Traditional name: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[4-(thiophene-3-carbonyl)morpholin-3-yl]acetamide
• Synonyms: N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[4-(3-thienylcarbonyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.716842
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.30174348
• LogD (pH = 7.4): 0.30174354
• Log P: 0.30174357
• Molar Refractivity: 92.1627 cm^3
• Polarizability: 34.37923 Å^3
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -1.2
• LOG S: -2.14
• Polar Surface Area: 97.56 Å^2
• Rotatable Bonds: 6