[1-(2-fluorophenyl)propan-2-yl]({[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl})amine

• ChemBase ID: 327443
• Molecular Formular: C14H18FN3O2
• Molecular Mass: 279.3100232
• Monoisotopic Mass: 279.13830505
• SMILES: n1c(noc1COC)CNC(Cc1c(F)cccc1)C
• Canonical SMILES: COCc1onc(n1)CNC(Cc1ccccc1F)C
• InChI: InChI=1S/C14H18FN3O2/c1-10(7-11-5-3-4-6-12(11)15)16-8-13-17-14(9-19-2)20-18-13/h3-6,10,16H,7-9H2,1-2H3
• InChIKey: PQWPWAQKIOYDQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)propan-2-yl]({[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl})amine
• IUPAC Traditional name: [1-(2-fluorophenyl)propan-2-yl]({[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl})amine
• Synonyms: 1-(2-fluorophenyl)-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}propan-2-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.19
• LOG S: -1.25
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 7

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.7978181
• LogD (pH = 7.4): 2.1730003
• Log P: 2.3240833
• Molar Refractivity: 74.3297 cm^3
• Polarizability: 27.925894 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4