3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole

C7H12N2O3S — CID 131201821

IUPAC3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
SMILESCCc1noc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H12N2O3S/c1-4-6-8-7(12-9-6)5(2)13(3,10)11/h5H,4H2,1-3H3
InChIKeyUPDHXKDZPLDNBC-UHFFFAOYSA-N
MW204.25 g/mol
LogP0.74
Rot. Bonds3

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

3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole (PubChem CID 131201821) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
PubChem CID131201821
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
SMILESCCc1noc(C(C)S(C)(=O)=O)n1
InChIInChI=1S/C7H12N2O3S/c1-4-6-8-7(12-9-6)5(2)13(3,10)11/h5H,4H2,1-3H3
InChIKeyUPDHXKDZPLDNBC-UHFFFAOYSA-N
XLogP0.74
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660464
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104521895
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 143984841
3-(4-ethylphenyl)-5-[(1R)-1-methylsulfonylethyl]-1,2,4-oxadiazole
CID 99827635
5-(1-bromopropyl)-3-ethyl-1,2,4-oxadiazole
CID 62856708
5-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfonylmethyl]-3-ethyl-1,2,4-oxadiazole
CID 95152762
5-(diethoxymethyl)-3-ethyl-1,2,4-oxadiazole
CID 63772870
methyl 3-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoate
CID 162468885
5-[(1S)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethyl]-3-ethyl-1,2,4-oxadiazole
CID 51931920
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352639
4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97333724

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole (CID 131201821) is 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole is CCc1noc(C(C)S(C)(=O)=O)n1.
What is the InChIKey of 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole?
The InChIKey is UPDHXKDZPLDNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-4-6-8-7(12-9-6)5(2)13(3,10)11/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole?
3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole has a molecular weight of 204.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131201821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).