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

C5H7NO3 — CID 89109413

IUPAC4-ethoxy-5H-1,3-oxazol-2-one
SMILESCCOC1=NC(=O)OC1
InChIInChI=1S/C5H7NO3/c1-2-8-4-3-9-5(7)6-4/h2-3H2,1H3
InChIKeyQNCUSBXUCRVBCM-UHFFFAOYSA-N
MW129.12 g/mol
LogP0.57
Rot. Bonds1

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

4-ethoxy-5H-1,3-oxazol-2-one (PubChem CID 89109413) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is 4-ethoxy-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-ethoxy-5H-1,3-oxazol-2-one
PubChem CID89109413
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Name4-ethoxy-5H-1,3-oxazol-2-one
SMILESCCOC1=NC(=O)OC1
InChIInChI=1S/C5H7NO3/c1-2-8-4-3-9-5(7)6-4/h2-3H2,1H3
InChIKeyQNCUSBXUCRVBCM-UHFFFAOYSA-N
XLogP0.57
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5H-1,3-oxazol-2-one?
The IUPAC name of 4-ethoxy-5H-1,3-oxazol-2-one (CID 89109413) is 4-ethoxy-5H-1,3-oxazol-2-one.
What is the SMILES notation for 4-ethoxy-5H-1,3-oxazol-2-one?
The canonical SMILES for 4-ethoxy-5H-1,3-oxazol-2-one is CCOC1=NC(=O)OC1.
What is the InChIKey of 4-ethoxy-5H-1,3-oxazol-2-one?
The InChIKey is QNCUSBXUCRVBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-2-8-4-3-9-5(7)6-4/h2-3H2,1H3.
What are the key properties of 4-ethoxy-5H-1,3-oxazol-2-one?
4-ethoxy-5H-1,3-oxazol-2-one has a molecular weight of 129.12 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5H-1,3-oxazol-2-one is sourced from PubChem (CID 89109413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).