5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole

C15H13FN2O — CID 163400457

IUPAC5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
SMILESCC1(c2ccc(-c3ccccc3F)cc2)N=CNO1
InChIInChI=1S/C15H13FN2O/c1-15(17-10-18-19-15)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,17,18)
InChIKeyQQNMYAOFVWFUIG-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.23
Rot. Bonds2

About 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole

5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole (PubChem CID 163400457) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
PubChem CID163400457
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole
SMILESCC1(c2ccc(-c3ccccc3F)cc2)N=CNO1
InChIInChI=1S/C15H13FN2O/c1-15(17-10-18-19-15)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,17,18)
InChIKeyQQNMYAOFVWFUIG-UHFFFAOYSA-N
XLogP3.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole (CID 163400457) is 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole is CC1(c2ccc(-c3ccccc3F)cc2)N=CNO1.
What is the InChIKey of 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
The InChIKey is QQNMYAOFVWFUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-15(17-10-18-19-15)12-8-6-11(7-9-12)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,17,18).
What are the key properties of 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole?
5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole has a molecular weight of 256.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)phenyl]-5-methyl-2H-1,2,4-oxadiazole is sourced from PubChem (CID 163400457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).