diethyl({2-ethyl-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]furan-3-yl}methyl)amine

• ChemBase ID: 780316
• Molecular Formular: C18H23N5O2
• Molecular Mass: 341.40752
• Monoisotopic Mass: 341.185175
• SMILES: n1c(noc1c1oc(c(c1)CN(CC)CC)CC)c1nnc(cc1)C
• Canonical SMILES: CCN(Cc1cc(oc1CC)c1onc(n1)c1ccc(nn1)C)CC
• InChI: InChI=1S/C18H23N5O2/c1-5-15-13(11-23(6-2)7-3)10-16(24-15)18-19-17(22-25-18)14-9-8-12(4)20-21-14/h8-10H,5-7,11H2,1-4H3
• InChIKey: APMVMERZJYHZSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl({2-ethyl-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]furan-3-yl}methyl)amine
• IUPAC Traditional name: diethyl({2-ethyl-5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]furan-3-yl}methyl)amine
• Synonyms: N-ethyl-N-({2-ethyl-5-[3-(6-methyl-3-pyridazinyl)-1,2,4-oxadiazol-5-yl]-3-furyl}methyl)ethanamine

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 119.2172 cm^3
• Polarizability: 37.214275 Å^3
• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.4473533
• LogD (pH = 7.4): 1.2457377
• Log P: 2.755652

供应商提供(Chembridge)

• Polar Surface Area: 81.08 Å^2
• Rotatable Bonds: 7
• H Acceptors: 7
• H Donor: 0
• Log P: 3.17
• LOG S: -3.39