ethyl 2-(1,2-oxazol-3-yl)acetate

C7H9NO3 — CID 45099106

IUPACethyl 2-(1,2-oxazol-3-yl)acetate
SMILESCCOC(=O)Cc1ccon1
InChIInChI=1S/C7H9NO3/c1-2-10-7(9)5-6-3-4-11-8-6/h3-4H,2,5H2,1H3
InChIKeyUBUOGYCODWVHOI-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.78
Rot. Bonds3

About ethyl 2-(1,2-oxazol-3-yl)acetate

ethyl 2-(1,2-oxazol-3-yl)acetate (PubChem CID 45099106) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is ethyl 2-(1,2-oxazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2-oxazol-3-yl)acetate
PubChem CID45099106
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Nameethyl 2-(1,2-oxazol-3-yl)acetate
SMILESCCOC(=O)Cc1ccon1
InChIInChI=1S/C7H9NO3/c1-2-10-7(9)5-6-3-4-11-8-6/h3-4H,2,5H2,1H3
InChIKeyUBUOGYCODWVHOI-UHFFFAOYSA-N
XLogP0.78
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-oxazol-3-yl)acetate?
The IUPAC name of ethyl 2-(1,2-oxazol-3-yl)acetate (CID 45099106) is ethyl 2-(1,2-oxazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2-oxazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1,2-oxazol-3-yl)acetate is CCOC(=O)Cc1ccon1.
What is the InChIKey of ethyl 2-(1,2-oxazol-3-yl)acetate?
The InChIKey is UBUOGYCODWVHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-10-7(9)5-6-3-4-11-8-6/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(1,2-oxazol-3-yl)acetate?
ethyl 2-(1,2-oxazol-3-yl)acetate has a molecular weight of 155.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-oxazol-3-yl)acetate is sourced from PubChem (CID 45099106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).