ethyl 2-ethenyl-1,3-oxazole-4-carboxylate

C8H9NO3 — CID 11321177

IUPACethyl 2-ethenyl-1,3-oxazole-4-carboxylate
SMILESC=Cc1nc(C(=O)OCC)co1
InChIInChI=1S/C8H9NO3/c1-3-7-9-6(5-12-7)8(10)11-4-2/h3,5H,1,4H2,2H3
InChIKeyNHZCFRYMZBTWEC-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.49
Rot. Bonds3

About ethyl 2-ethenyl-1,3-oxazole-4-carboxylate

ethyl 2-ethenyl-1,3-oxazole-4-carboxylate (PubChem CID 11321177) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is ethyl 2-ethenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethenyl-1,3-oxazole-4-carboxylate
PubChem CID11321177
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Nameethyl 2-ethenyl-1,3-oxazole-4-carboxylate
SMILESC=Cc1nc(C(=O)OCC)co1
InChIInChI=1S/C8H9NO3/c1-3-7-9-6(5-12-7)8(10)11-4-2/h3,5H,1,4H2,2H3
InChIKeyNHZCFRYMZBTWEC-UHFFFAOYSA-N
XLogP1.49
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-ethenyl-1,3-oxazole-4-carboxylate (CID 11321177) is ethyl 2-ethenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethenyl-1,3-oxazole-4-carboxylate is C=Cc1nc(C(=O)OCC)co1.
What is the InChIKey of ethyl 2-ethenyl-1,3-oxazole-4-carboxylate?
The InChIKey is NHZCFRYMZBTWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-3-7-9-6(5-12-7)8(10)11-4-2/h3,5H,1,4H2,2H3.
What are the key properties of ethyl 2-ethenyl-1,3-oxazole-4-carboxylate?
ethyl 2-ethenyl-1,3-oxazole-4-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11321177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).