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

C10H17N3O3S — CID 83070518

IUPAC5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CS(C)(=O)=O)no2)CCCN1
InChIInChI=1S/C10H17N3O3S/c1-3-10(5-4-6-11-10)9-12-8(13-16-9)7-17(2,14)15/h11H,3-7H2,1-2H3
InChIKeyNCWYSKZNWRMTRB-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.60
Rot. Bonds4

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

5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 83070518) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID83070518
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(CS(C)(=O)=O)no2)CCCN1
InChIInChI=1S/C10H17N3O3S/c1-3-10(5-4-6-11-10)9-12-8(13-16-9)7-17(2,14)15/h11H,3-7H2,1-2H3
InChIKeyNCWYSKZNWRMTRB-UHFFFAOYSA-N
XLogP0.60
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethylpyrrolidin-2-yl)-3-(3-methylbutyl)-1,2,4-oxadiazole
CID 83070737
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950174
3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070596
3-butan-2-yl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83071344
5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole
CID 83071041
5-(2-ethylpyrrolidin-2-yl)-3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 83060391
3-(cyclopropylmethyl)-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 106977975
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-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64890771
5-(2-ethylpyrrolidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 83070366

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (CID 83070518) is 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is CCC1(c2nc(CS(C)(=O)=O)no2)CCCN1.
What is the InChIKey of 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is NCWYSKZNWRMTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-3-10(5-4-6-11-10)9-12-8(13-16-9)7-17(2,14)15/h11H,3-7H2,1-2H3.
What are the key properties of 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 259.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-2-yl)-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83070518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).