4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylpiperazine-1-carboxamide

• ChemBase ID: 567052
• Molecular Formular: C11H19N5O2
• Molecular Mass: 253.30086
• Monoisotopic Mass: 253.15387487
• SMILES: c1(oc(nn1)CC)N1CCN(C(=O)N(C)C)CC1
• Canonical SMILES: CCc1nnc(o1)N1CCN(CC1)C(=O)N(C)C
• InChI: InChI=1S/C11H19N5O2/c1-4-9-12-13-10(18-9)15-5-7-16(8-6-15)11(17)14(2)3/h4-8H2,1-3H3
• InChIKey: OVKYXJNWYWOUQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylpiperazine-1-carboxamide
• IUPAC Traditional name: 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylpiperazine-1-carboxamide
• Synonyms: 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylpiperazine-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.24159998
• LogD (pH = 7.4): -0.24159952
• Log P: -0.2415995
• Molar Refractivity: 68.7445 cm^3
• Polarizability: 24.786915 Å^3
• Polar Surface Area: 65.71 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: -2.45
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 2