1-{4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl}-4-phenylpiperazine

• ChemBase ID: 637508
• Molecular Formular: C19H21N5O2S
• Molecular Mass: 383.46734
• Monoisotopic Mass: 383.14159594
• SMILES: n1c(c2nc(sc2)N2CCN(CC2)c2ccccc2)onc1C1COCC1
• Canonical SMILES: C1OCC(C1)c1noc(n1)c1csc(n1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C19H21N5O2S/c1-2-4-15(5-3-1)23-7-9-24(10-8-23)19-20-16(13-27-19)18-21-17(22-26-18)14-6-11-25-12-14/h1-5,13-14H,6-12H2
• InChIKey: JECQVLYTJACNOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl}-4-phenylpiperazine
• IUPAC Traditional name: 1-{4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl}-4-phenylpiperazine
• Synonyms: 1-phenyl-4-{4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.070486
• LogD (pH = 7.4): 4.072029
• Log P: 4.0720487
• Molar Refractivity: 115.6827 cm^3
• Polarizability: 39.309612 Å^3
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.02
• LOG S: -2.87
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 4