1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-4-(2-methanesulfonylethyl)piperazine

• ChemBase ID: 746728
• Molecular Formular: C14H23N3O4S
• Molecular Mass: 329.41512
• Monoisotopic Mass: 329.14092723
• SMILES: c1(C(=O)N2CCN(CCS(=O)(=O)C)CC2)c(nc(o1)CC)C
• Canonical SMILES: CCc1nc(c(o1)C(=O)N1CCN(CC1)CCS(=O)(=O)C)C
• InChI: InChI=1S/C14H23N3O4S/c1-4-12-15-11(2)13(21-12)14(18)17-7-5-16(6-8-17)9-10-22(3,19)20/h4-10H2,1-3H3
• InChIKey: NCXGFMPKAPDJOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-4-(2-methanesulfonylethyl)piperazine
• IUPAC Traditional name: 1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-4-(2-methanesulfonylethyl)piperazine
• Synonyms: 1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-4-[2-(methylsulfonyl)ethyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4375355
• LogD (pH = 7.4): -1.3857877
• Log P: -1.3850864
• Molar Refractivity: 83.2933 cm^3
• Polarizability: 32.48923 Å^3
• Polar Surface Area: 83.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -1.95
• LOG S: -1.25
• Polar Surface Area: 83.72 Å^2
• Rotatable Bonds: 5