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

C8H10F3N3O — CID 165431699

IUPAC5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CC(C(F)(F)F)C2)no1
InChIInChI=1S/C8H10F3N3O/c1-5-12-7(13-15-5)4-14-2-6(3-14)8(9,10)11/h6H,2-4H2,1H3
InChIKeyICBCFPLKFMITKL-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.37
Rot. Bonds2

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

5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 165431699) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID165431699
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(CN2CC(C(F)(F)F)C2)no1
InChIInChI=1S/C8H10F3N3O/c1-5-12-7(13-15-5)4-14-2-6(3-14)8(9,10)11/h6H,2-4H2,1H3
InChIKeyICBCFPLKFMITKL-UHFFFAOYSA-N
XLogP1.37
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole (CID 165431699) is 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(CN2CC(C(F)(F)F)C2)no1.
What is the InChIKey of 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ICBCFPLKFMITKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-12-7(13-15-5)4-14-2-6(3-14)8(9,10)11/h6H,2-4H2,1H3.
What are the key properties of 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 221.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 165431699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).