2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole

C12H11F5N4O2 — CID 150813686

IUPAC2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole
SMILESFC(F)(F)COc1cc(N2CN=CO2)ncc1N1CC(F)(F)C1
InChIInChI=1S/C12H11F5N4O2/c13-11(14)3-20(4-11)8-2-19-10(21-6-18-7-23-21)1-9(8)22-5-12(15,16)17/h1-2,7H,3-6H2
InChIKeyKIKODFVBXGYOFY-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.22
Rot. Bonds4

About 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole

2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole (PubChem CID 150813686) has the molecular formula C12H11F5N4O2 and a molecular weight of 338.24 g/mol. Its IUPAC name is 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole
PubChem CID150813686
Molecular FormulaC12H11F5N4O2
Molecular Weight338.24 g/mol
Exact Mass338.08
IUPAC Name2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole
SMILESFC(F)(F)COc1cc(N2CN=CO2)ncc1N1CC(F)(F)C1
InChIInChI=1S/C12H11F5N4O2/c13-11(14)3-20(4-11)8-2-19-10(21-6-18-7-23-21)1-9(8)22-5-12(15,16)17/h1-2,7H,3-6H2
InChIKeyKIKODFVBXGYOFY-UHFFFAOYSA-N
XLogP2.22
TPSA50.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole?
The IUPAC name of 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole (CID 150813686) is 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole.
What is the SMILES notation for 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole?
The canonical SMILES for 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole is FC(F)(F)COc1cc(N2CN=CO2)ncc1N1CC(F)(F)C1.
What is the InChIKey of 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole?
The InChIKey is KIKODFVBXGYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N4O2/c13-11(14)3-20(4-11)8-2-19-10(21-6-18-7-23-21)1-9(8)22-5-12(15,16)17/h1-2,7H,3-6H2.
What are the key properties of 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole?
2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole has a molecular weight of 338.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,3-difluoroazetidin-1-yl)-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-3H-1,2,4-oxadiazole is sourced from PubChem (CID 150813686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).