N-methyl-5-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl}thiophene-2-carboxamide

• ChemBase ID: 343821
• Molecular Formular: C19H20N4O2S
• Molecular Mass: 368.4527
• Monoisotopic Mass: 368.1306969
• SMILES: n1c(noc1CN1C(c2sc(C(=O)NC)cc2)CCC1)c1ccccc1
• Canonical SMILES: CNC(=O)c1ccc(s1)C1CCCN1Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H20N4O2S/c1-20-19(24)16-10-9-15(26-16)14-8-5-11-23(14)12-17-21-18(22-25-17)13-6-3-2-4-7-13/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,20,24)
• InChIKey: TWIBKAVDDSYNAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl}thiophene-2-carboxamide
• IUPAC Traditional name: N-methyl-5-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl}thiophene-2-carboxamide
• Synonyms: N-methyl-5-{1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidinyl}-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.845406
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.298706
• LogD (pH = 7.4): 3.4308631
• Log P: 3.5069213
• Molar Refractivity: 112.4278 cm^3
• Polarizability: 38.664593 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.38
• LOG S: -3.92
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 5