5-ethyl-1,2,4-oxadiazole

C4H6N2O — CID 19928681

IUPAC5-ethyl-1,2,4-oxadiazole
SMILESCCc1ncno1
InChIInChI=1S/C4H6N2O/c1-2-4-5-3-6-7-4/h3H,2H2,1H3
InChIKeyDIUKGQCXFKKMFJ-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.63
Rot. Bonds1

About 5-ethyl-1,2,4-oxadiazole

5-ethyl-1,2,4-oxadiazole (PubChem CID 19928681) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-1,2,4-oxadiazole
PubChem CID19928681
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name5-ethyl-1,2,4-oxadiazole
SMILESCCc1ncno1
InChIInChI=1S/C4H6N2O/c1-2-4-5-3-6-7-4/h3H,2H2,1H3
InChIKeyDIUKGQCXFKKMFJ-UHFFFAOYSA-N
XLogP0.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-1,2,4-oxadiazole (CID 19928681) is 5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-1,2,4-oxadiazole is CCc1ncno1.
What is the InChIKey of 5-ethyl-1,2,4-oxadiazole?
The InChIKey is DIUKGQCXFKKMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-2-4-5-3-6-7-4/h3H,2H2,1H3.
What are the key properties of 5-ethyl-1,2,4-oxadiazole?
5-ethyl-1,2,4-oxadiazole has a molecular weight of 98.10 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 19928681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).