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

C13H13F2N3O — CID 60916016

IUPAC5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1nc(C2CCCCN2)no1
InChIInChI=1S/C13H13F2N3O/c14-8-4-3-5-9(15)11(8)13-17-12(18-19-13)10-6-1-2-7-16-10/h3-5,10,16H,1-2,6-7H2
InChIKeyJOAXYCILRFFEQT-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.83
Rot. Bonds2

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

5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 60916016) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID60916016
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(F)c1-c1nc(C2CCCCN2)no1
InChIInChI=1S/C13H13F2N3O/c14-8-4-3-5-9(15)11(8)13-17-12(18-19-13)10-6-1-2-7-16-10/h3-5,10,16H,1-2,6-7H2
InChIKeyJOAXYCILRFFEQT-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81461458
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
3-(azepan-2-yl)-5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 103972200
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 129368246
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 60916016) is 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole is Fc1cccc(F)c1-c1nc(C2CCCCN2)no1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is JOAXYCILRFFEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-8-4-3-5-9(15)11(8)13-17-12(18-19-13)10-6-1-2-7-16-10/h3-5,10,16H,1-2,6-7H2.
What are the key properties of 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 265.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60916016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).