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

• ChemBase ID: 847067
• Molecular Formular: C21H28N4O3
• Molecular Mass: 384.47202
• Monoisotopic Mass: 384.21614078
• SMILES: n1c(noc1C1CCN(C(=O)C2CN(CC2)CCOC)CC1)c1ccccc1
• Canonical SMILES: COCCN1CCC(C1)C(=O)N1CCC(CC1)c1onc(n1)c1ccccc1
• InChI: InChI=1S/C21H28N4O3/c1-27-14-13-24-10-7-18(15-24)21(26)25-11-8-17(9-12-25)20-22-19(23-28-20)16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
• InChIKey: GOHNUXFEAAKPRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
• IUPAC Traditional name: 1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
• Synonyms: 1-{[1-(2-methoxyethyl)-3-pyrrolidinyl]carbonyl}-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1853769
• LogD (pH = 7.4): 0.43770683
• Log P: 2.1250615
• Molar Refractivity: 118.5382 cm^3
• Polarizability: 41.628155 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.23
• LOG S: -3.91
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6