N-[2-(dimethylamino)ethyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 500130
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1c(onc1COc1ccccc1)c1cnc(N(CCN(C)C)C)cc1
• Canonical SMILES: CN(CCN(c1ccc(cn1)c1onc(n1)COc1ccccc1)C)C
• InChI: InChI=1S/C19H23N5O2/c1-23(2)11-12-24(3)18-10-9-15(13-20-18)19-21-17(22-26-19)14-25-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3
• InChIKey: FGWPMLFUTMDRAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N,N,N'-trimethyl-N'-{5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-1,2-ethanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.36160043
• LogD (pH = 7.4): 2.115293
• Log P: 3.4409983
• Molar Refractivity: 112.9665 cm^3
• Polarizability: 38.801506 Å^3
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.87
• LOG S: -2.92
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 7