1-(1,3-oxazol-2-yl)ethanone

C5H5NO2 — CID 19782729

IUPAC1-(1,3-oxazol-2-yl)ethanone
SMILESCC(=O)c1ncco1
InChIInChI=1S/C5H5NO2/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
InChIKeyQCDUAXSWPGEYBB-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.88
Rot. Bonds1

About 1-(1,3-oxazol-2-yl)ethanone

1-(1,3-oxazol-2-yl)ethanone (PubChem CID 19782729) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)ethanone
PubChem CID19782729
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name1-(1,3-oxazol-2-yl)ethanone
SMILESCC(=O)c1ncco1
InChIInChI=1S/C5H5NO2/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
InChIKeyQCDUAXSWPGEYBB-UHFFFAOYSA-N
XLogP0.88
TPSA43.10 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 ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)ethanone?
The IUPAC name of 1-(1,3-oxazol-2-yl)ethanone (CID 19782729) is 1-(1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 1-(1,3-oxazol-2-yl)ethanone is CC(=O)c1ncco1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)ethanone?
The InChIKey is QCDUAXSWPGEYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c1-4(7)5-6-2-3-8-5/h2-3H,1H3.
What are the key properties of 1-(1,3-oxazol-2-yl)ethanone?
1-(1,3-oxazol-2-yl)ethanone has a molecular weight of 111.10 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 19782729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).