ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate

C11H15NO5 — CID 102243359

IUPACethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)Cc1nc(C(=O)OCC)c(C)o1
InChIInChI=1S/C11H15NO5/c1-4-15-9(13)6-8-12-10(7(3)17-8)11(14)16-5-2/h4-6H2,1-3H3
InChIKeyOHEFRJRIOWPSAR-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate

ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 102243359) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
PubChem CID102243359
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Nameethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)Cc1nc(C(=O)OCC)c(C)o1
InChIInChI=1S/C11H15NO5/c1-4-15-9(13)6-8-12-10(7(3)17-8)11(14)16-5-2/h4-6H2,1-3H3
InChIKeyOHEFRJRIOWPSAR-UHFFFAOYSA-N
XLogP1.27
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
CID 10513471
ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 10911923
ethyl 3-(2-ethoxy-2-oxoethyl)-5,6-dimethylpyridine-2-carboxylate
CID 13349595
ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)acetate
CID 58747624
ethyl 2-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)acetate
CID 22759395

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate (CID 102243359) is ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)Cc1nc(C(=O)OCC)c(C)o1.
What is the InChIKey of ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is OHEFRJRIOWPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-4-15-9(13)6-8-12-10(7(3)17-8)11(14)16-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate?
ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 102243359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).