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

• ChemBase ID: 564417
• Molecular Formular: C13H13F2N3O2
• Molecular Mass: 281.2580264
• Monoisotopic Mass: 281.09758311
• SMILES: n1c(oc(n1)CN(C(=O)C(F)(F)C)C)c1ccccc1
• Canonical SMILES: CN(C(=O)C(F)(F)C)Cc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C13H13F2N3O2/c1-13(14,15)12(19)18(2)8-10-16-17-11(20-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
• InChIKey: XAEZIUVKJKKGIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
• IUPAC Traditional name: 2,2-difluoro-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
• Synonyms: 2,2-difluoro-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1125442
• LogD (pH = 7.4): 1.1125442
• Log P: 1.1125442
• Molar Refractivity: 79.3684 cm^3
• Polarizability: 25.676136 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.34
• LOG S: -2.07
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 4