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

C8H13N3O — CID 102993872

IUPAC5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2ncno2)CCCN1
InChIInChI=1S/C8H13N3O/c1-2-8(4-3-5-10-8)7-9-6-11-12-7/h6,10H,2-5H2,1H3
InChIKeyBZAQTKXLYADWLL-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.06
Rot. Bonds2

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

5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 102993872) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID102993872
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2ncno2)CCCN1
InChIInChI=1S/C8H13N3O/c1-2-8(4-3-5-10-8)7-9-6-11-12-7/h6,10H,2-5H2,1H3
InChIKeyBZAQTKXLYADWLL-UHFFFAOYSA-N
XLogP1.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-ethylpyrrolidin-2-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 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 102993872) is 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCC1(c2ncno2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is BZAQTKXLYADWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-8(4-3-5-10-8)7-9-6-11-12-7/h6,10H,2-5H2,1H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 1.06, 2 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)-1,2,4-oxadiazole is sourced from PubChem (CID 102993872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).