[(dimethyl-1,2-oxazol-4-yl)methyl][(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]methylamine

• ChemBase ID: 519534
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: c1(c(onc1C)C)CN(C/C(=C/c1occc1)/C)C
• Canonical SMILES: CN(Cc1c(C)noc1C)C/C(=C/c1ccco1)/C
• InChI: InChI=1S/C15H20N2O2/c1-11(8-14-6-5-7-18-14)9-17(4)10-15-12(2)16-19-13(15)3/h5-8H,9-10H2,1-4H3/b11-8+
• InChIKey: ABBYXVNIUSHAQC-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,2-oxazol-4-yl)methyl][(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]methylamine
• IUPAC Traditional name: [(dimethyl-1,2-oxazol-4-yl)methyl][(2E)-3-(furan-2-yl)-2-methylprop-2-en-1-yl]methylamine
• Synonyms: (2E)-N-[(3,5-dimethylisoxazol-4-yl)methyl]-3-(2-furyl)-N,2-dimethylprop-2-en-1-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 2.34
• LOG S: -2.09
• Polar Surface Area: 42.41 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.09920625
• LogD (pH = 7.4): 1.7945814
• Log P: 2.2481163
• Molar Refractivity: 77.388 cm^3
• Polarizability: 28.6997 Å^3
• Polar Surface Area: 42.41 Å^2
• Rotatable Bonds: 5