[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl][(2E)-3-(furan-2-yl)prop-2-en-1-yl]methylamine

• ChemBase ID: 416711
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1c(noc1C1CCC1)CN(C/C=C/c1occc1)C
• Canonical SMILES: CN(Cc1noc(n1)C1CCC1)C/C=C/c1ccco1
• InChI: InChI=1S/C15H19N3O2/c1-18(9-3-7-13-8-4-10-19-13)11-14-16-15(20-17-14)12-5-2-6-12/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3/b7-3+
• InChIKey: VWFAMJQNQGQYBC-XVNBXDOJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl][(2E)-3-(furan-2-yl)prop-2-en-1-yl]methylamine
• IUPAC Traditional name: [(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl][(2E)-3-(furan-2-yl)prop-2-en-1-yl]methylamine
• Synonyms: (2E)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-furyl)-N-methylprop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7660818
• LogD (pH = 7.4): 3.023806
• Log P: 3.0283165
• Molar Refractivity: 78.4905 cm^3
• Polarizability: 29.029228 Å^3
• Polar Surface Area: 55.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.15
• LOG S: -2.02
• Polar Surface Area: 55.3 Å^2
• Rotatable Bonds: 6