1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-(thiophene-2-carbonyl)piperidine

• ChemBase ID: 616344
• Molecular Formular: C19H19N3O2S
• Molecular Mass: 353.43806
• Monoisotopic Mass: 353.11979786
• SMILES: n1c(noc1CN1CC(C(=O)c2sccc2)CCC1)c1ccccc1
• Canonical SMILES: O=C(c1cccs1)C1CCCN(C1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H19N3O2S/c23-18(16-9-5-11-25-16)15-8-4-10-22(12-15)13-17-20-19(21-24-17)14-6-2-1-3-7-14/h1-3,5-7,9,11,15H,4,8,10,12-13H2
• InChIKey: CNIMEMROKIHISF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-(thiophene-2-carbonyl)piperidine
• IUPAC Traditional name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-(thiophene-2-carbonyl)piperidine
• Synonyms: {1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinyl}(2-thienyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.350856
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9720008
• LogD (pH = 7.4): 3.9445987
• Log P: 3.993837
• Molar Refractivity: 108.8898 cm^3
• Polarizability: 37.71689 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.36
• LOG S: -3.02
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5