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

C12H21N3O — CID 83071344

IUPAC3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2(CC)CCCN2)n1
InChIInChI=1S/C12H21N3O/c1-4-9(3)10-14-11(16-15-10)12(5-2)7-6-8-13-12/h9,13H,4-8H2,1-3H3
InChIKeyNNAIGADIYDKIKD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.57
Rot. Bonds4

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

3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 83071344) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID83071344
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC(C)c1noc(C2(CC)CCCN2)n1
InChIInChI=1S/C12H21N3O/c1-4-9(3)10-14-11(16-15-10)12(5-2)7-6-8-13-12/h9,13H,4-8H2,1-3H3
InChIKeyNNAIGADIYDKIKD-UHFFFAOYSA-N
XLogP2.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-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

Related Compounds

3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977865
3-butan-2-yl-5-(3-ethylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63718510
5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
CID 83070737
3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070596
3-(1-ethoxy-2-methylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978019
5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 83070518
3-butan-2-yl-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983393
3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106978023
3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114085116
3-(4-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83071262
5-(2-ethylpyrrolidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 83071343
3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070290

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 83071344) is 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCC(C)c1noc(C2(CC)CCCN2)n1.
What is the InChIKey of 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is NNAIGADIYDKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-9(3)10-14-11(16-15-10)12(5-2)7-6-8-13-12/h9,13H,4-8H2,1-3H3.
What are the key properties of 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83071344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).