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

C6H12N2O2 — CID 153349931

IUPACethane;3-ethyl-4H-1,2,4-oxadiazol-5-one
SMILESCC.CCc1noc(=O)[nH]1
InChIInChI=1S/C4H6N2O2.C2H6/c1-2-3-5-4(7)8-6-3;1-2/h2H2,1H3,(H,5,6,7);1-2H3
InChIKeyMQAQFMONVKGCBK-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.95
Rot. Bonds1

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

ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 153349931) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Nameethane;3-ethyl-4H-1,2,4-oxadiazol-5-one
PubChem CID153349931
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameethane;3-ethyl-4H-1,2,4-oxadiazol-5-one
SMILESCC.CCc1noc(=O)[nH]1
InChIInChI=1S/C4H6N2O2.C2H6/c1-2-3-5-4(7)8-6-3;1-2/h2H2,1H3,(H,5,6,7);1-2H3
InChIKeyMQAQFMONVKGCBK-UHFFFAOYSA-N
XLogP0.95
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one (CID 153349931) is ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one is CC.CCc1noc(=O)[nH]1.
What is the InChIKey of ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is MQAQFMONVKGCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C2H6/c1-2-3-5-4(7)8-6-3;1-2/h2H2,1H3,(H,5,6,7);1-2H3.
What are the key properties of ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one?
ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 144.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 153349931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).