1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine

• ChemBase ID: 313756
• Molecular Formular: C18H22N6O
• Molecular Mass: 338.40688
• Monoisotopic Mass: 338.18550935
• SMILES: n1c(noc1CN1CCN(Cc2n(ccn2)C)CC1)c1ccccc1
• Canonical SMILES: Cn1ccnc1CN1CCN(CC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C18H22N6O/c1-22-8-7-19-16(22)13-23-9-11-24(12-10-23)14-17-20-18(21-25-17)15-5-3-2-4-6-15/h2-8H,9-14H2,1H3
• InChIKey: DDRLXXBNMPESJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
• IUPAC Traditional name: 1-[(1-methylimidazol-2-yl)methyl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
• Synonyms: 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.57469165
• LogD (pH = 7.4): 1.9853061
• Log P: 2.046572
• Molar Refractivity: 107.7961 cm^3
• Polarizability: 37.253254 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.47
• LOG S: -0.97
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 5