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

C12H19N3O — CID 83070596

IUPAC3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CCC3)no2)CCCN1
InChIInChI=1S/C12H19N3O/c1-2-12(7-4-8-13-12)11-14-10(15-16-11)9-5-3-6-9/h9,13H,2-8H2,1H3
InChIKeyKDIDJYPHOBBCIK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.33
Rot. Bonds3

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

3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 83070596) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID83070596
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CCC3)no2)CCCN1
InChIInChI=1S/C12H19N3O/c1-2-12(7-4-8-13-12)11-14-10(15-16-11)9-5-3-6-9/h9,13H,2-8H2,1H3
InChIKeyKDIDJYPHOBBCIK-UHFFFAOYSA-N
XLogP2.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 83070366
3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83071344
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
CID 83070737
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63126024
5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 83070518
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
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977975
5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102993872

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 83070596) is 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCC1(c2nc(C3CCC3)no2)CCCN1.
What is the InChIKey of 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is KDIDJYPHOBBCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-12(7-4-8-13-12)11-14-10(15-16-11)9-5-3-6-9/h9,13H,2-8H2,1H3.
What are the key properties of 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83070596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).