5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

C15H12F2N2O — CID 2998681

IUPAC5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2ccc(F)cc2F)ON1
InChIInChI=1S/C15H12F2N2O/c1-9-4-2-3-5-11(9)14-18-15(20-19-14)12-7-6-10(16)8-13(12)17/h2-8,15H,1H3,(H,18,19)
InChIKeyFZYGUNVGIVFREA-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.25
Rot. Bonds2

About 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole

5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 2998681) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID2998681
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccccc1C1=NC(c2ccc(F)cc2F)ON1
InChIInChI=1S/C15H12F2N2O/c1-9-4-2-3-5-11(9)14-18-15(20-19-14)12-7-6-10(16)8-13(12)17/h2-8,15H,1H3,(H,18,19)
InChIKeyFZYGUNVGIVFREA-UHFFFAOYSA-N
XLogP3.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole (CID 2998681) is 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is Cc1ccccc1C1=NC(c2ccc(F)cc2F)ON1.
What is the InChIKey of 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is FZYGUNVGIVFREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-9-4-2-3-5-11(9)14-18-15(20-19-14)12-7-6-10(16)8-13(12)17/h2-8,15H,1H3,(H,18,19).
What are the key properties of 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole?
5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 274.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 2998681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).