2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C6H6F3N3O — CID 105446626

IUPAC2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CNC2)o1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5-12-11-4(13-5)3-1-10-2-3/h3,10H,1-2H2
InChIKeyBCBFNPKMFYJJAI-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.78
Rot. Bonds1

About 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 105446626) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID105446626
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CNC2)o1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)5-12-11-4(13-5)3-1-10-2-3/h3,10H,1-2H2
InChIKeyBCBFNPKMFYJJAI-UHFFFAOYSA-N
XLogP0.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 105446626) is 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C2CNC2)o1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is BCBFNPKMFYJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)5-12-11-4(13-5)3-1-10-2-3/h3,10H,1-2H2.
What are the key properties of 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 193.13 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 105446626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).