5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C10H14F3N3O — CID 83070593

IUPAC5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CC(F)(F)F)no2)CCCN1
InChIInChI=1S/C10H14F3N3O/c1-2-9(4-3-5-14-9)8-15-7(16-17-8)6-10(11,12)13/h14H,2-6H2,1H3
InChIKeyXQLDABCDJGBPAA-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.16
Rot. Bonds3

About 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 83070593) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID83070593
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CC(F)(F)F)no2)CCCN1
InChIInChI=1S/C10H14F3N3O/c1-2-9(4-3-5-14-9)8-15-7(16-17-8)6-10(11,12)13/h14H,2-6H2,1H3
InChIKeyXQLDABCDJGBPAA-UHFFFAOYSA-N
XLogP2.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 83070593) is 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is CCC1(c2nc(CC(F)(F)F)no2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is XQLDABCDJGBPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-9(4-3-5-14-9)8-15-7(16-17-8)6-10(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 249.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-2-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83070593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).