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

• ChemBase ID: 415081
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1c(noc1c1ccccc1)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1noc(n1)c1ccccc1
• InChI: InChI=1S/C19H23N5O2/c1-25-13-12-23-11-9-20-17(23)16-8-5-10-24(14-16)19-21-18(26-22-19)15-6-3-2-4-7-15/h2-4,6-7,9,11,16H,5,8,10,12-14H2,1H3
• InChIKey: APELOYACSOHXNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine
• Synonyms: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1461442
• LogD (pH = 7.4): 2.9614992
• Log P: 3.0697765
• Molar Refractivity: 111.1282 cm^3
• Polarizability: 37.798958 Å^3
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.71
• LOG S: -3.24
• Polar Surface Area: 69.21 Å^2
• Rotatable Bonds: 6