3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole

C11H10F3N5O — CID 175789287

IUPAC3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole
SMILESCC1CCN1c1nc(-c2ncon2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c1-6-2-3-19(6)10-16-7(9-15-5-20-18-9)4-8(17-10)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyFJBPFOVGOZPHPA-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.14
Rot. Bonds2

About 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole

3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole (PubChem CID 175789287) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole
PubChem CID175789287
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole
SMILESCC1CCN1c1nc(-c2ncon2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H10F3N5O/c1-6-2-3-19(6)10-16-7(9-15-5-20-18-9)4-8(17-10)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyFJBPFOVGOZPHPA-UHFFFAOYSA-N
XLogP2.14
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole (CID 175789287) is 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole is CC1CCN1c1nc(-c2ncon2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is FJBPFOVGOZPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c1-6-2-3-19(6)10-16-7(9-15-5-20-18-9)4-8(17-10)11(12,13)14/h4-6H,2-3H2,1H3.
What are the key properties of 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole?
3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 285.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 175789287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).