ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate

C13H13NO4 — CID 902453

IUPACethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1-c1ccno1
InChIInChI=1S/C13H13NO4/c1-2-16-13(15)9-17-11-6-4-3-5-10(11)12-7-8-14-18-12/h3-8H,2,9H2,1H3
InChIKeyKQKQDESNIIVFAK-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.28
Rot. Bonds5

About ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate

ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate (PubChem CID 902453) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate
PubChem CID902453
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Nameethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1-c1ccno1
InChIInChI=1S/C13H13NO4/c1-2-16-13(15)9-17-11-6-4-3-5-10(11)12-7-8-14-18-12/h3-8H,2,9H2,1H3
InChIKeyKQKQDESNIIVFAK-UHFFFAOYSA-N
XLogP2.28
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate (CID 902453) is ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate is CCOC(=O)COc1ccccc1-c1ccno1.
What is the InChIKey of ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate?
The InChIKey is KQKQDESNIIVFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-16-13(15)9-17-11-6-4-3-5-10(11)12-7-8-14-18-12/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate?
ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate has a molecular weight of 247.25 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,2-oxazol-5-yl)phenoxy]acetate is sourced from PubChem (CID 902453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).