1-(methoxymethyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}cyclobutane-1-carboxamide

• ChemBase ID: 678225
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: n1c(onc1CNC(=O)C1(COC)CCC1)c1sccc1
• Canonical SMILES: COCC1(CCC1)C(=O)NCc1noc(n1)c1cccs1
• InChI: InChI=1S/C14H17N3O3S/c1-19-9-14(5-3-6-14)13(18)15-8-11-16-12(20-17-11)10-4-2-7-21-10/h2,4,7H,3,5-6,8-9H2,1H3,(H,15,18)
• InChIKey: SRPAAQHRCILVQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}cyclobutane-1-carboxamide
• Synonyms: 1-(methoxymethyl)-N-{[5-(2-thienyl)-1,2,4-oxadiazol-3-yl]methyl}cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.647399
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0020547
• LogD (pH = 7.4): 2.0020525
• Log P: 2.0020547
• Molar Refractivity: 89.1206 cm^3
• Polarizability: 30.371645 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.38
• LOG S: -2.62
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 6