N,N-dimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

• ChemBase ID: 778223
• Molecular Formular: C13H16N4O2
• Molecular Mass: 260.29174
• Monoisotopic Mass: 260.12732577
• SMILES: n1c(noc1c1cnc(N(C)C)cc1)C1COCC1
• Canonical SMILES: CN(c1ccc(cn1)c1onc(n1)C1COCC1)C
• InChI: InChI=1S/C13H16N4O2/c1-17(2)11-4-3-9(7-14-11)13-15-12(16-19-13)10-5-6-18-8-10/h3-4,7,10H,5-6,8H2,1-2H3
• InChIKey: LWLFFHACCYTJJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• IUPAC Traditional name: N,N-dimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• Synonyms: N,N-dimethyl-5-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Log P: 1.9819438
• Molar Refractivity: 82.981 cm^3
• Polarizability: 26.911188 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8846016
• LogD (pH = 7.4): 1.9805648

供应商提供(Chembridge)

• Log P: 1.65
• LOG S: -2.51
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0