5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole

C7H8F3N3O — CID 82007553

IUPAC5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2CCCN2)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)6-12-5(14-13-6)4-2-1-3-11-4/h4,11H,1-3H2
InChIKeyKULVKVUOFQVCES-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.51
Rot. Bonds1

About 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole

5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 82007553) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID82007553
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2CCCN2)n1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)6-12-5(14-13-6)4-2-1-3-11-4/h4,11H,1-3H2
InChIKeyKULVKVUOFQVCES-UHFFFAOYSA-N
XLogP1.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 82007553) is 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(C2CCCN2)n1.
What is the InChIKey of 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is KULVKVUOFQVCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)6-12-5(14-13-6)4-2-1-3-11-4/h4,11H,1-3H2.
What are the key properties of 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 207.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82007553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).