2,5-dihydro-1,2-oxazol-5-yl acetate

C5H7NO3 — CID 57174536

IUPAC2,5-dihydro-1,2-oxazol-5-yl acetate
SMILESCC(=O)OC1C=CNO1
InChIInChI=1S/C5H7NO3/c1-4(7)8-5-2-3-6-9-5/h2-3,5-6H,1H3
InChIKeyUSAAJIHPJXTKRB-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.08
Rot. Bonds1

About 2,5-dihydro-1,2-oxazol-5-yl acetate

2,5-dihydro-1,2-oxazol-5-yl acetate (PubChem CID 57174536) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 2,5-dihydro-1,2-oxazol-5-yl acetate.

Molecular Properties

Compound Name2,5-dihydro-1,2-oxazol-5-yl acetate
PubChem CID57174536
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name2,5-dihydro-1,2-oxazol-5-yl acetate
SMILESCC(=O)OC1C=CNO1
InChIInChI=1S/C5H7NO3/c1-4(7)8-5-2-3-6-9-5/h2-3,5-6H,1H3
InChIKeyUSAAJIHPJXTKRB-UHFFFAOYSA-N
XLogP-0.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2S,5R,6R)-5-acetyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate
CID 11218099
(6-methyl-5-oxo-2H-pyran-2-yl) acetate
CID 13031642
[(6S)-2-oxo-3,6-dihydrooxathiin-6-yl] acetate
CID 100947044
[(1R,6R)-6-acetyloxycyclohexa-2,4-dien-1-yl] acetate
CID 12651509
2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate
CID 157160193
[(3aS,4R,7S,7aR)-7-acetyloxy-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-yl] acetate
CID 25186038
(3,6-diacetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
CID 18534199
[(2R,3R,6R)-3,6-diacetyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 70004935
[(2R,3S)-3,6-diacetyloxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 10880231
(3-oxo-4H-1,4-oxazin-2-yl) acetate
CID 143843630
[(2S,3S)-3-hydroxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl] acetate
CID 134856342
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1,2-oxazol-5-yl acetate?
The IUPAC name of 2,5-dihydro-1,2-oxazol-5-yl acetate (CID 57174536) is 2,5-dihydro-1,2-oxazol-5-yl acetate.
What is the SMILES notation for 2,5-dihydro-1,2-oxazol-5-yl acetate?
The canonical SMILES for 2,5-dihydro-1,2-oxazol-5-yl acetate is CC(=O)OC1C=CNO1.
What is the InChIKey of 2,5-dihydro-1,2-oxazol-5-yl acetate?
The InChIKey is USAAJIHPJXTKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(7)8-5-2-3-6-9-5/h2-3,5-6H,1H3.
What are the key properties of 2,5-dihydro-1,2-oxazol-5-yl acetate?
2,5-dihydro-1,2-oxazol-5-yl acetate has a molecular weight of 129.11 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1,2-oxazol-5-yl acetate is sourced from PubChem (CID 57174536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).