{[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine

• ChemBase ID: 351874
• Molecular Formular: C17H17F2N3O2
• Molecular Mass: 333.3325864
• Monoisotopic Mass: 333.12888324
• SMILES: c1(nc(c(o1)C)CN(C(c1nocc1)C)C)c1c(ccc(c1)F)F
• Canonical SMILES: Fc1ccc(c(c1)c1nc(c(o1)C)CN(C(c1ccon1)C)C)F
• InChI: InChI=1S/C17H17F2N3O2/c1-10(15-6-7-23-21-15)22(3)9-16-11(2)24-17(20-16)13-8-12(18)4-5-14(13)19/h4-8,10H,9H2,1-3H3
• InChIKey: RVFZRAJBYHNQAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine
• IUPAC Traditional name: {[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine
• Synonyms: N-{[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-(3-isoxazolyl)-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.677949
• LogD (pH = 7.4): 3.1749694
• Log P: 3.186996
• Molar Refractivity: 95.4983 cm^3
• Polarizability: 32.219723 Å^3
• Polar Surface Area: 55.3 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: 2.34
• LOG S: -2.85
• Polar Surface Area: 55.3 Å^2
• Rotatable Bonds: 5