N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 519074
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: n1c(onc1CC(C)C)c1cnc(N(Cc2n(ccn2)CC)C)cc1
• Canonical SMILES: CCn1ccnc1CN(c1ccc(cn1)c1onc(n1)CC(C)C)C
• InChI: InChI=1S/C18H24N6O/c1-5-24-9-8-19-17(24)12-23(4)16-7-6-14(11-20-16)18-21-15(22-25-18)10-13(2)3/h6-9,11,13H,5,10,12H2,1-4H3
• InChIKey: BJGJBXITSASQBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N-[(1-ethyl-1H-imidazol-2-yl)methyl]-5-(3-isobutyl-1,2,4-oxadiazol-5-yl)-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0173352
• LogD (pH = 7.4): 3.6326892
• Log P: 3.6508026
• Molar Refractivity: 109.3015 cm^3
• Polarizability: 36.93719 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.82
• LOG S: -4.49
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 5