N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-3,4-dimethylpiperazine-1-carboxamide

• ChemBase ID: 736179
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: c1(oc(nn1)c1ccc(NC(=O)N2CC(N(CC2)C)C)cc1)c1occc1
• Canonical SMILES: CN1CCN(CC1C)C(=O)Nc1ccc(cc1)c1nnc(o1)c1ccco1
• InChI: InChI=1S/C19H21N5O3/c1-13-12-24(10-9-23(13)2)19(25)20-15-7-5-14(6-8-15)17-21-22-18(27-17)16-4-3-11-26-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,25)
• InChIKey: QFYJPRPMIAQCCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-3,4-dimethylpiperazine-1-carboxamide
• IUPAC Traditional name: N-{4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl}-3,4-dimethylpiperazine-1-carboxamide
• Synonyms: N-{4-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]phenyl}-3,4-dimethylpiperazine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.722629
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.08506903
• LogD (pH = 7.4): 1.4409174
• Log P: 1.6796843
• Molar Refractivity: 123.3797 cm^3
• Polarizability: 38.905518 Å^3
• Polar Surface Area: 87.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.45
• LOG S: -3.97
• Polar Surface Area: 87.64 Å^2
• Rotatable Bonds: 3