1-(dimethyl-1,3-oxazole-4-carbonyl)-4-(2,6-dimethylpyridin-4-yl)piperazine

• ChemBase ID: 519057
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c1(nc(oc1C)C)C(=O)N1CCN(c2cc(nc(c2)C)C)CC1
• Canonical SMILES: Cc1nc(c(o1)C)C(=O)N1CCN(CC1)c1cc(C)nc(c1)C
• InChI: InChI=1S/C17H22N4O2/c1-11-9-15(10-12(2)18-11)20-5-7-21(8-6-20)17(22)16-13(3)23-14(4)19-16/h9-10H,5-8H2,1-4H3
• InChIKey: SIVFVLIFPOBWFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,3-oxazole-4-carbonyl)-4-(2,6-dimethylpyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(dimethyl-1,3-oxazole-4-carbonyl)-4-(2,6-dimethylpyridin-4-yl)piperazine
• Synonyms: 1-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-4-(2,6-dimethyl-4-pyridinyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2064899
• LogD (pH = 7.4): -0.9071591
• Log P: 0.7049137
• Molar Refractivity: 88.4323 cm^3
• Polarizability: 32.70595 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.39
• LOG S: -2.47
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 2