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

C5H7NO2 — CID 70605938

IUPAC4-ethyl-5H-1,3-oxazol-2-one
SMILESCCC1=NC(=O)OC1
InChIInChI=1S/C5H7NO2/c1-2-4-3-8-5(7)6-4/h2-3H2,1H3
InChIKeyHZHCWUJNLNOOGJ-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.99
Rot. Bonds1

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

4-ethyl-5H-1,3-oxazol-2-one (PubChem CID 70605938) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-ethyl-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-ethyl-5H-1,3-oxazol-2-one
PubChem CID70605938
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name4-ethyl-5H-1,3-oxazol-2-one
SMILESCCC1=NC(=O)OC1
InChIInChI=1S/C5H7NO2/c1-2-4-3-8-5(7)6-4/h2-3H2,1H3
InChIKeyHZHCWUJNLNOOGJ-UHFFFAOYSA-N
XLogP0.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5H-1,3-oxazol-2-one?
The IUPAC name of 4-ethyl-5H-1,3-oxazol-2-one (CID 70605938) is 4-ethyl-5H-1,3-oxazol-2-one.
What is the SMILES notation for 4-ethyl-5H-1,3-oxazol-2-one?
The canonical SMILES for 4-ethyl-5H-1,3-oxazol-2-one is CCC1=NC(=O)OC1.
What is the InChIKey of 4-ethyl-5H-1,3-oxazol-2-one?
The InChIKey is HZHCWUJNLNOOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-2-4-3-8-5(7)6-4/h2-3H2,1H3.
What are the key properties of 4-ethyl-5H-1,3-oxazol-2-one?
4-ethyl-5H-1,3-oxazol-2-one has a molecular weight of 113.12 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5H-1,3-oxazol-2-one is sourced from PubChem (CID 70605938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).