3-ethyl-4H-1,2,4-oxadiazol-5-one

C4H6N2O2 — CID 135753908

IUPAC3-ethyl-4H-1,2,4-oxadiazol-5-one
SMILESCCc1noc(=O)[nH]1
InChIInChI=1S/C4H6N2O2/c1-2-3-5-4(7)8-6-3/h2H2,1H3,(H,5,6,7)
InChIKeyXDAARBVMIPYNNG-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.07
Rot. Bonds1

About 3-ethyl-4H-1,2,4-oxadiazol-5-one

3-ethyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 135753908) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-ethyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-ethyl-4H-1,2,4-oxadiazol-5-one
PubChem CID135753908
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name3-ethyl-4H-1,2,4-oxadiazol-5-one
SMILESCCc1noc(=O)[nH]1
InChIInChI=1S/C4H6N2O2/c1-2-3-5-4(7)8-6-3/h2H2,1H3,(H,5,6,7)
InChIKeyXDAARBVMIPYNNG-UHFFFAOYSA-N
XLogP-0.07
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-ethyl-4H-1,2,4-oxadiazol-5-one (CID 135753908) is 3-ethyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-ethyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-ethyl-4H-1,2,4-oxadiazol-5-one is CCc1noc(=O)[nH]1.
What is the InChIKey of 3-ethyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XDAARBVMIPYNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-2-3-5-4(7)8-6-3/h2H2,1H3,(H,5,6,7).
What are the key properties of 3-ethyl-4H-1,2,4-oxadiazol-5-one?
3-ethyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 114.10 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135753908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).