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

C5H8N2O2 — CID 163646192

IUPAC3-ethyl-4H-1,3,5-oxadiazin-2-one
SMILESCCN1CN=COC1=O
InChIInChI=1S/C5H8N2O2/c1-2-7-3-6-4-9-5(7)8/h4H,2-3H2,1H3
InChIKeyIIKINPLWPCXOLO-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.44
Rot. Bonds1

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

3-ethyl-4H-1,3,5-oxadiazin-2-one (PubChem CID 163646192) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-ethyl-4H-1,3,5-oxadiazin-2-one.

Molecular Properties

Compound Name3-ethyl-4H-1,3,5-oxadiazin-2-one
PubChem CID163646192
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3-ethyl-4H-1,3,5-oxadiazin-2-one
SMILESCCN1CN=COC1=O
InChIInChI=1S/C5H8N2O2/c1-2-7-3-6-4-9-5(7)8/h4H,2-3H2,1H3
InChIKeyIIKINPLWPCXOLO-UHFFFAOYSA-N
XLogP0.44
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4H-1,3,5-oxadiazin-2-one?
The IUPAC name of 3-ethyl-4H-1,3,5-oxadiazin-2-one (CID 163646192) is 3-ethyl-4H-1,3,5-oxadiazin-2-one.
What is the SMILES notation for 3-ethyl-4H-1,3,5-oxadiazin-2-one?
The canonical SMILES for 3-ethyl-4H-1,3,5-oxadiazin-2-one is CCN1CN=COC1=O.
What is the InChIKey of 3-ethyl-4H-1,3,5-oxadiazin-2-one?
The InChIKey is IIKINPLWPCXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-7-3-6-4-9-5(7)8/h4H,2-3H2,1H3.
What are the key properties of 3-ethyl-4H-1,3,5-oxadiazin-2-one?
3-ethyl-4H-1,3,5-oxadiazin-2-one has a molecular weight of 128.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4H-1,3,5-oxadiazin-2-one is sourced from PubChem (CID 163646192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).