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

C9H12F3N3O — CID 63711053

IUPAC3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C9H12F3N3O/c1-2-6-14-7(16-15-6)8(9(10,11)12)3-4-13-5-8/h13H,2-5H2,1H3
InChIKeyFDFQDXKKIJMTEZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.43
Rot. Bonds2

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

3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 63711053) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID63711053
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCCc1noc(C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C9H12F3N3O/c1-2-6-14-7(16-15-6)8(9(10,11)12)3-4-13-5-8/h13H,2-5H2,1H3
InChIKeyFDFQDXKKIJMTEZ-UHFFFAOYSA-N
XLogP1.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-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 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 63711053) is 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is CCc1noc(C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FDFQDXKKIJMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-6-14-7(16-15-6)8(9(10,11)12)3-4-13-5-8/h13H,2-5H2,1H3.
What are the key properties of 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 235.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 63711053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).