ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate

C8H11NO4 — CID 13395786

IUPACethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate
SMILESCCOC(=O)Cc1cc(OC)no1
InChIInChI=1S/C8H11NO4/c1-3-12-8(10)5-6-4-7(11-2)9-13-6/h4H,3,5H2,1-2H3
InChIKeyIONFDCKXSWLXTE-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.79
Rot. Bonds4

About ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate

ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate (PubChem CID 13395786) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate
PubChem CID13395786
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate
SMILESCCOC(=O)Cc1cc(OC)no1
InChIInChI=1S/C8H11NO4/c1-3-12-8(10)5-6-4-7(11-2)9-13-6/h4H,3,5H2,1-2H3
InChIKeyIONFDCKXSWLXTE-UHFFFAOYSA-N
XLogP0.79
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate?
The IUPAC name of ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate (CID 13395786) is ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate?
The canonical SMILES for ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate is CCOC(=O)Cc1cc(OC)no1.
What is the InChIKey of ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate?
The InChIKey is IONFDCKXSWLXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-3-12-8(10)5-6-4-7(11-2)9-13-6/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate?
ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate has a molecular weight of 185.18 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate is sourced from PubChem (CID 13395786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).