3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

C13H13F2N3O — CID 53417950

IUPAC3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C13H13F2N3O/c14-9-2-1-3-10(15)11(9)12-17-13(19-18-12)8-4-6-16-7-5-8/h1-3,8,16H,4-7H2
InChIKeyKTYUILXMTSYPFX-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.48
Rot. Bonds2

About 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 53417950) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID53417950
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1noc(C2CCNCC2)n1
InChIInChI=1S/C13H13F2N3O/c14-9-2-1-3-10(15)11(9)12-17-13(19-18-12)8-4-6-16-7-5-8/h1-3,8,16H,4-7H2
InChIKeyKTYUILXMTSYPFX-UHFFFAOYSA-N
XLogP2.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-difluorophenyl)-5-piperidin-4-yl-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 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 53417950) is 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is Fc1cccc(F)c1-c1noc(C2CCNCC2)n1.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is KTYUILXMTSYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-9-2-1-3-10(15)11(9)12-17-13(19-18-12)8-4-6-16-7-5-8/h1-3,8,16H,4-7H2.
What are the key properties of 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 265.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53417950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).