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

C13H21N3O — CID 63145228

IUPAC3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CCCC3)no2)CCNC1
InChIInChI=1S/C13H21N3O/c1-2-13(7-8-14-9-13)12-15-11(16-17-12)10-5-3-4-6-10/h10,14H,2-9H2,1H3
InChIKeyMQXOCWBUTGWUNL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.37
Rot. Bonds3

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

3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63145228) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63145228
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CCCC3)no2)CCNC1
InChIInChI=1S/C13H21N3O/c1-2-13(7-8-14-9-13)12-15-11(16-17-12)10-5-3-4-6-10/h10,14H,2-9H2,1H3
InChIKeyMQXOCWBUTGWUNL-UHFFFAOYSA-N
XLogP2.37
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-5-(3-ethylpyrrolidin-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

Related Compounds

3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65393679
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
5-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
CID 65331500
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
3-cyclopentyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 63709985
3-(3-methylcyclohexyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125853
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070596
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 63145108

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63145228) is 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCC1(c2nc(C3CCCC3)no2)CCNC1.
What is the InChIKey of 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is MQXOCWBUTGWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-13(7-8-14-9-13)12-15-11(16-17-12)10-5-3-4-6-10/h10,14H,2-9H2,1H3.
What are the key properties of 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).