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

C11H19N3O — CID 63144433

IUPAC3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(CC)no2)CCNC1
InChIInChI=1S/C11H19N3O/c1-3-5-11(6-7-12-8-11)10-13-9(4-2)14-15-10/h12H,3-8H2,1-2H3
InChIKeyRLFACZUMJXGHFZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds4

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

3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63144433) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63144433
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(CC)no2)CCNC1
InChIInChI=1S/C11H19N3O/c1-3-5-11(6-7-12-8-11)10-13-9(4-2)14-15-10/h12H,3-8H2,1-2H3
InChIKeyRLFACZUMJXGHFZ-UHFFFAOYSA-N
XLogP1.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylbutyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55165950
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962
3-(butan-2-ylsulfanylmethyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65137263
5-(3-propylpyrrolidin-3-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472505
3-[(2-methylphenyl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144833
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145200
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65133231
5-(3-ethylpyrrolidin-3-yl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 63145108
3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125830
3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65393679

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63144433) is 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(CC)no2)CCNC1.
What is the InChIKey of 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is RLFACZUMJXGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-11(6-7-12-8-11)10-13-9(4-2)14-15-10/h12H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63144433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).