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

• ChemBase ID: 556964
• Molecular Formular: C21H19FN4O2
• Molecular Mass: 378.3995632
• Monoisotopic Mass: 378.14920409
• SMILES: n1c(onc1Cc1cc(F)ccc1)CN(Cc1cc(no1)c1ccccc1)C
• Canonical SMILES: CN(Cc1onc(c1)c1ccccc1)Cc1onc(n1)Cc1cccc(c1)F
• InChI: InChI=1S/C21H19FN4O2/c1-26(13-18-12-19(24-27-18)16-7-3-2-4-8-16)14-21-23-20(25-28-21)11-15-6-5-9-17(22)10-15/h2-10,12H,11,13-14H2,1H3
• InChIKey: MYZLEJJJPGRPBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)[(3-phenyl-1,2-oxazol-5-yl)methyl]amine
• IUPAC Traditional name: ({3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)(methyl)[(3-phenyl-1,2-oxazol-5-yl)methyl]amine
• Synonyms: 1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-phenyl-5-isoxazolyl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9522734
• LogD (pH = 7.4): 4.4536304
• Log P: 4.465834
• Molar Refractivity: 104.8028 cm^3
• Polarizability: 40.016724 Å^3
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.15
• LOG S: -4.04
• Polar Surface Area: 68.19 Å^2
• Rotatable Bonds: 7