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

C10H14F3N3O — CID 63144875

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CC(F)(F)F)no2)CCNC1
InChIInChI=1S/C10H14F3N3O/c1-2-9(3-4-14-6-9)8-15-7(16-17-8)5-10(11,12)13/h14H,2-6H2,1H3
InChIKeyZYMULGQYWRFQEY-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.82
Rot. Bonds3

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

5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 63144875) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID63144875
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CC(F)(F)F)no2)CCNC1
InChIInChI=1S/C10H14F3N3O/c1-2-9(3-4-14-6-9)8-15-7(16-17-8)5-10(11,12)13/h14H,2-6H2,1H3
InChIKeyZYMULGQYWRFQEY-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 63144875) is 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is CCC1(c2nc(CC(F)(F)F)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is ZYMULGQYWRFQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-9(3-4-14-6-9)8-15-7(16-17-8)5-10(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 249.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63144875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).