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

• ChemBase ID: 340400
• Molecular Formular: C12H18N6O
• Molecular Mass: 262.31092
• Monoisotopic Mass: 262.15420923
• SMILES: c1(oc(nn1)C)N1CCN(Cc2n(ccn2)C)CC1
• Canonical SMILES: Cc1nnc(o1)N1CCN(CC1)Cc1nccn1C
• InChI: InChI=1S/C12H18N6O/c1-10-14-15-12(19-10)18-7-5-17(6-8-18)9-11-13-3-4-16(11)2/h3-4H,5-9H2,1-2H3
• InChIKey: BUAHBXWAOBEFNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0381275
• LogD (pH = 7.4): -0.4029948
• Log P: -0.37999067
• Molar Refractivity: 73.1674 cm^3
• Polarizability: 26.55917 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.66
• LOG S: -1.27
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 3