N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide

• ChemBase ID: 649845
• Molecular Formular: C13H15N3O2S
• Molecular Mass: 277.3421
• Monoisotopic Mass: 277.08849774
• SMILES: n1c(noc1CCNC(=O)c1c(ccs1)C)C1CC1
• Canonical SMILES: O=C(c1sccc1C)NCCc1onc(n1)C1CC1
• InChI: InChI=1S/C13H15N3O2S/c1-8-5-7-19-11(8)13(17)14-6-4-10-15-12(16-18-10)9-2-3-9/h5,7,9H,2-4,6H2,1H3,(H,14,17)
• InChIKey: WPXNVWGEFRYGBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.793641
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5280046
• LogD (pH = 7.4): 2.5280046
• Log P: 2.5280046
• Molar Refractivity: 73.2429 cm^3
• Polarizability: 26.784126 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.0
• LOG S: -2.08
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5