ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate

C13H15NO4 — CID 114823849

IUPACethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2coc(C)c2)nc1CC
InChIInChI=1S/C13H15NO4/c1-4-10-11(13(15)16-5-2)18-12(14-10)9-6-8(3)17-7-9/h6-7H,4-5H2,1-3H3
InChIKeyCSGWPTXPVSMQPX-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.98
Rot. Bonds4

About ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate

ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate (PubChem CID 114823849) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
PubChem CID114823849
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2coc(C)c2)nc1CC
InChIInChI=1S/C13H15NO4/c1-4-10-11(13(15)16-5-2)18-12(14-10)9-6-8(3)17-7-9/h6-7H,4-5H2,1-3H3
InChIKeyCSGWPTXPVSMQPX-UHFFFAOYSA-N
XLogP2.98
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethyl-2-(3-nitrophenyl)-1,3-oxazole-5-carboxylate
CID 104842760
ethyl 2-(4-bromo-2,6-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842772
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
ethyl 4-ethyl-2-(2-methoxy-5-methylphenyl)-1,3-oxazole-5-carboxylate
CID 104842583
dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953751
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
ethyl 2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372587
ethyl 4-(bromomethyl)-2-(4-butoxyphenyl)-1,3-oxazole-5-carboxylate
CID 143299975
ethyl 2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylate
CID 114372592
ethyl 2-(2,2-dimethylpropyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 104842658
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate (CID 114823849) is ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2coc(C)c2)nc1CC.
What is the InChIKey of ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate?
The InChIKey is CSGWPTXPVSMQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-4-10-11(13(15)16-5-2)18-12(14-10)9-6-8(3)17-7-9/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate?
ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-(5-methylfuran-3-yl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114823849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).