N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine

• ChemBase ID: 740846
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: n1c(noc1CN(C1CCOCC1)C)c1ccccc1
• Canonical SMILES: CN(C1CCOCC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C15H19N3O2/c1-18(13-7-9-19-10-8-13)11-14-16-15(17-20-14)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
• InChIKey: HQDQBCGDEFDONY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
• IUPAC Traditional name: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
• Synonyms: N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.21164621
• LogD (pH = 7.4): 1.5460056
• Log P: 2.1615727
• Molar Refractivity: 88.4304 cm^3
• Polarizability: 30.091822 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.06
• LOG S: -0.98
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4