3-ethenyl-1,3-oxazol-2-one

C5H5NO2 — CID 14028809

IUPAC3-ethenyl-1,3-oxazol-2-one
SMILESC=Cn1ccoc1=O
InChIInChI=1S/C5H5NO2/c1-2-6-3-4-8-5(6)7/h2-4H,1H2
InChIKeyPXPIYZITFLBHSY-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.54
Rot. Bonds1

About 3-ethenyl-1,3-oxazol-2-one

3-ethenyl-1,3-oxazol-2-one (PubChem CID 14028809) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 3-ethenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-ethenyl-1,3-oxazol-2-one
PubChem CID14028809
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name3-ethenyl-1,3-oxazol-2-one
SMILESC=Cn1ccoc1=O
InChIInChI=1S/C5H5NO2/c1-2-6-3-4-8-5(6)7/h2-4H,1H2
InChIKeyPXPIYZITFLBHSY-UHFFFAOYSA-N
XLogP0.54
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethenyl-1,3-oxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,3-oxazol-2-one?
The IUPAC name of 3-ethenyl-1,3-oxazol-2-one (CID 14028809) is 3-ethenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-ethenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-ethenyl-1,3-oxazol-2-one is C=Cn1ccoc1=O.
What is the InChIKey of 3-ethenyl-1,3-oxazol-2-one?
The InChIKey is PXPIYZITFLBHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-2-6-3-4-8-5(6)7/h2-4H,1H2.
What are the key properties of 3-ethenyl-1,3-oxazol-2-one?
3-ethenyl-1,3-oxazol-2-one has a molecular weight of 111.10 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,3-oxazol-2-one is sourced from PubChem (CID 14028809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).