dimethyl({2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}methyl)amine

• ChemBase ID: 846682
• Molecular Formular: C18H19N3O
• Molecular Mass: 293.36296
• Monoisotopic Mass: 293.15281224
• SMILES: n1c(oc(n1)C)c1ccc(c2c(CN(C)C)cccc2)cc1
• Canonical SMILES: CN(Cc1ccccc1c1ccc(cc1)c1nnc(o1)C)C
• InChI: InChI=1S/C18H19N3O/c1-13-19-20-18(22-13)15-10-8-14(9-11-15)17-7-5-4-6-16(17)12-21(2)3/h4-11H,12H2,1-3H3
• InChIKey: XDQGICHBAIWDBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}methyl)amine
• IUPAC Traditional name: dimethyl({2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}methyl)amine
• Synonyms: N,N-dimethyl-1-[4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-2-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.66762793
• LogD (pH = 7.4): 0.6892327
• Log P: 2.6911426
• Molar Refractivity: 100.2048 cm^3
• Polarizability: 35.547745 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.97
• LOG S: -2.01
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4