1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone

C5H7NO2 — CID 143618113

IUPAC1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)C1=NOCC1
InChIInChI=1S/C5H7NO2/c1-4(7)5-2-3-8-6-5/h2-3H2,1H3
InChIKeySHKZZVPMULKVGQ-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.35
Rot. Bonds1

About 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone

1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone (PubChem CID 143618113) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone
PubChem CID143618113
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)C1=NOCC1
InChIInChI=1S/C5H7NO2/c1-4(7)5-2-3-8-6-5/h2-3H2,1H3
InChIKeySHKZZVPMULKVGQ-UHFFFAOYSA-N
XLogP0.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone (CID 143618113) is 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone is CC(=O)C1=NOCC1.
What is the InChIKey of 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone?
The InChIKey is SHKZZVPMULKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-4(7)5-2-3-8-6-5/h2-3H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone?
1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone has a molecular weight of 113.12 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 143618113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).