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

C10H14F3N3O — CID 106977995

IUPAC5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(F)(F)F)no2)CCCN1
InChIInChI=1S/C10H14F3N3O/c1-2-4-9(5-3-6-14-9)8-15-7(16-17-8)10(11,12)13/h14H,2-6H2,1H3
InChIKeyDKYUMQADLCDDBU-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.47
Rot. Bonds3

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

5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 106977995) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID106977995
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(F)(F)F)no2)CCCN1
InChIInChI=1S/C10H14F3N3O/c1-2-4-9(5-3-6-14-9)8-15-7(16-17-8)10(11,12)13/h14H,2-6H2,1H3
InChIKeyDKYUMQADLCDDBU-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-propylpyrrolidin-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-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 106977995) is 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is CCCC1(c2nc(C(F)(F)F)no2)CCCN1.
What is the InChIKey of 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is DKYUMQADLCDDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-4-9(5-3-6-14-9)8-15-7(16-17-8)10(11,12)13/h14H,2-6H2,1H3.
What are the key properties of 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 249.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propylpyrrolidin-2-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 106977995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).