1,2-oxazol-5-yl acetate

C5H5NO3 — CID 42552872

IUPAC1,2-oxazol-5-yl acetate
SMILESCC(=O)Oc1ccno1
InChIInChI=1S/C5H5NO3/c1-4(7)8-5-2-3-6-9-5/h2-3H,1H3
InChIKeyFVJKTWJWVXOYFY-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.60
Rot. Bonds1

About 1,2-oxazol-5-yl acetate

1,2-oxazol-5-yl acetate (PubChem CID 42552872) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,2-oxazol-5-yl acetate.

Molecular Properties

Compound Name1,2-oxazol-5-yl acetate
PubChem CID42552872
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1,2-oxazol-5-yl acetate
SMILESCC(=O)Oc1ccno1
InChIInChI=1S/C5H5NO3/c1-4(7)8-5-2-3-6-9-5/h2-3H,1H3
InChIKeyFVJKTWJWVXOYFY-UHFFFAOYSA-N
XLogP0.60
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl acetate?
The IUPAC name of 1,2-oxazol-5-yl acetate (CID 42552872) is 1,2-oxazol-5-yl acetate.
What is the SMILES notation for 1,2-oxazol-5-yl acetate?
The canonical SMILES for 1,2-oxazol-5-yl acetate is CC(=O)Oc1ccno1.
What is the InChIKey of 1,2-oxazol-5-yl acetate?
The InChIKey is FVJKTWJWVXOYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c1-4(7)8-5-2-3-6-9-5/h2-3H,1H3.
What are the key properties of 1,2-oxazol-5-yl acetate?
1,2-oxazol-5-yl acetate has a molecular weight of 127.10 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl acetate is sourced from PubChem (CID 42552872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).