ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate

C12H11NO3S — CID 15266755

IUPACethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccsc2)on1
InChIInChI=1S/C12H11NO3S/c1-2-15-12(14)11-7-10(16-13-11)4-3-9-5-6-17-8-9/h3-8H,2H2,1H3/b4-3+
InChIKeyYJTCFVGJUGDXLW-ONEGZZNKSA-N
MW249.29 g/mol
LogP3.08
Rot. Bonds4

About ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate (PubChem CID 15266755) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate
PubChem CID15266755
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Nameethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccsc2)on1
InChIInChI=1S/C12H11NO3S/c1-2-15-12(14)11-7-10(16-13-11)4-3-9-5-6-17-8-9/h3-8H,2H2,1H3/b4-3+
InChIKeyYJTCFVGJUGDXLW-ONEGZZNKSA-N
XLogP3.08
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate (CID 15266755) is ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(/C=C/c2ccsc2)on1.
What is the InChIKey of ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is YJTCFVGJUGDXLW-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-2-15-12(14)11-7-10(16-13-11)4-3-9-5-6-17-8-9/h3-8H,2H2,1H3/b4-3+.
What are the key properties of ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 249.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-2-thiophen-3-ylethenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 15266755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).