1-(dimethyl-1,3-oxazole-5-carbonyl)-3-phenylpiperazine

• ChemBase ID: 419837
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(C(=O)N2CC(NCC2)c2ccccc2)c(nc(o1)C)C
• Canonical SMILES: Cc1nc(c(o1)C(=O)N1CCNC(C1)c1ccccc1)C
• InChI: InChI=1S/C16H19N3O2/c1-11-15(21-12(2)18-11)16(20)19-9-8-17-14(10-19)13-6-4-3-5-7-13/h3-7,14,17H,8-10H2,1-2H3
• InChIKey: MYIAOJJCWIGWBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,3-oxazole-5-carbonyl)-3-phenylpiperazine
• IUPAC Traditional name: 1-(dimethyl-1,3-oxazole-5-carbonyl)-3-phenylpiperazine
• Synonyms: 1-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-3-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.070296
• LogD (pH = 7.4): 0.41955134
• Log P: 0.6358775
• Molar Refractivity: 79.5871 cm^3
• Polarizability: 30.439373 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.48
• LOG S: -2.18
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 2