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

C6H7ClF3N3O — CID 72716139

IUPAC5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)(F)c1noc(C2CNC2)n1
InChIInChI=1S/C6H6F3N3O.ClH/c7-6(8,9)5-11-4(13-12-5)3-1-10-2-3;/h3,10H,1-2H2;1H
InChIKeyXVISRUKWBAGKGJ-UHFFFAOYSA-N
MW229.59 g/mol
LogP1.20
Rot. Bonds1

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

5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 72716139) has the molecular formula C6H7ClF3N3O and a molecular weight of 229.59 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID72716139
Molecular FormulaC6H7ClF3N3O
Molecular Weight229.59 g/mol
Exact Mass229.02
IUPAC Name5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)(F)c1noc(C2CNC2)n1
InChIInChI=1S/C6H6F3N3O.ClH/c7-6(8,9)5-11-4(13-12-5)3-1-10-2-3;/h3,10H,1-2H2;1H
InChIKeyXVISRUKWBAGKGJ-UHFFFAOYSA-N
XLogP1.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.59
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride (CID 72716139) is 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride is Cl.FC(F)(F)c1noc(C2CNC2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is XVISRUKWBAGKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O.ClH/c7-6(8,9)5-11-4(13-12-5)3-1-10-2-3;/h3,10H,1-2H2;1H.
What are the key properties of 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 229.59 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 72716139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).