3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate

C11H15NO5 — CID 54184374

IUPAC3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate
SMILESCCOC(=O)c1conc1C(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO5/c1-5-15-9(13)7-6-16-12-8(7)10(14)17-11(2,3)4/h6H,5H2,1-4H3
InChIKeyPEBOELZTRFEBRB-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.81
Rot. Bonds3

About 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate

3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate (PubChem CID 54184374) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate
PubChem CID54184374
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate
SMILESCCOC(=O)c1conc1C(=O)OC(C)(C)C
InChIInChI=1S/C11H15NO5/c1-5-15-9(13)7-6-16-12-8(7)10(14)17-11(2,3)4/h6H,5H2,1-4H3
InChIKeyPEBOELZTRFEBRB-UHFFFAOYSA-N
XLogP1.81
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(2-fluoropropan-2-yl)-1,2-oxazole-4-carboxylate
CID 154642728
ethyl 3-(methoxymethyl)-1,2-oxazole-4-carboxylate
CID 168845716
2-O-tert-butyl 1-O-ethyl 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502195
ethyl 3-(2-methoxyethyl)-1,2-oxazole-4-carboxylate
CID 168852129
ethyl 3-(2-oxoethyl)-1,2-oxazole-4-carboxylate
CID 154642732
ethyl 3-(2,2-difluoroethyl)-1,2-oxazole-4-carboxylate
CID 154642707
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
CID 867446
ethyl 3-[(R)-hydroxy(phenyl)methyl]-1,2-oxazole-4-carboxylate
CID 125265673
ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
CID 23465079
diethyl 5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]pyridine-2,3-dicarboxylate
CID 139788524
4-O-tert-butyl 2-O-ethyl 3H-pyrrole-2,4-dicarboxylate
CID 58278635

Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate (CID 54184374) is 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate is CCOC(=O)c1conc1C(=O)OC(C)(C)C.
What is the InChIKey of 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate?
The InChIKey is PEBOELZTRFEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-5-15-9(13)7-6-16-12-8(7)10(14)17-11(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate?
3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 4-O-ethyl 1,2-oxazole-3,4-dicarboxylate is sourced from PubChem (CID 54184374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).