[(dimethyl-1,2-oxazol-4-yl)methyl](methyl){[5-(oxan-2-yl)furan-2-yl]methyl}amine

• ChemBase ID: 574198
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: c1(c(onc1C)C)CN(Cc1oc(cc1)C1OCCCC1)C
• Canonical SMILES: CN(Cc1c(C)noc1C)Cc1ccc(o1)C1CCCCO1
• InChI: InChI=1S/C17H24N2O3/c1-12-15(13(2)22-18-12)11-19(3)10-14-7-8-17(21-14)16-6-4-5-9-20-16/h7-8,16H,4-6,9-11H2,1-3H3
• InChIKey: UYKXWAAFPUTVGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl){[5-(oxan-2-yl)furan-2-yl]methyl}amine
• IUPAC Traditional name: [(dimethyl-1,2-oxazol-4-yl)methyl](methyl){[5-(oxan-2-yl)furan-2-yl]methyl}amine
• Synonyms: 1-(3,5-dimethylisoxazol-4-yl)-N-methyl-N-{[5-(tetrahydro-2H-pyran-2-yl)-2-furyl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4695437
• LogD (pH = 7.4): 1.9152479
• Log P: 2.1007502
• Molar Refractivity: 86.0442 cm^3
• Polarizability: 32.517437 Å^3
• Polar Surface Area: 51.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.32
• LOG S: -2.39
• Polar Surface Area: 51.64 Å^2
• Rotatable Bonds: 5