diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate

C10H10F3NO5 — CID 1473875

IUPACdiethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate
SMILESCCOC(=O)c1noc(C(F)(F)F)c1C(=O)OCC
InChIInChI=1S/C10H10F3NO5/c1-3-17-8(15)5-6(9(16)18-4-2)14-19-7(5)10(11,12)13/h3-4H2,1-2H3
InChIKeyVOPYEGXMBZZBFY-UHFFFAOYSA-N
MW281.19 g/mol
LogP2.05
Rot. Bonds4

About diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate

diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate (PubChem CID 1473875) has the molecular formula C10H10F3NO5 and a molecular weight of 281.19 g/mol. Its IUPAC name is diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate
PubChem CID1473875
Molecular FormulaC10H10F3NO5
Molecular Weight281.19 g/mol
Exact Mass281.05
IUPAC Namediethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate
SMILESCCOC(=O)c1noc(C(F)(F)F)c1C(=O)OCC
InChIInChI=1S/C10H10F3NO5/c1-3-17-8(15)5-6(9(16)18-4-2)14-19-7(5)10(11,12)13/h3-4H2,1-2H3
InChIKeyVOPYEGXMBZZBFY-UHFFFAOYSA-N
XLogP2.05
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate?
The IUPAC name of diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate (CID 1473875) is diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate.
What is the SMILES notation for diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate?
The canonical SMILES for diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate is CCOC(=O)c1noc(C(F)(F)F)c1C(=O)OCC.
What is the InChIKey of diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate?
The InChIKey is VOPYEGXMBZZBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO5/c1-3-17-8(15)5-6(9(16)18-4-2)14-19-7(5)10(11,12)13/h3-4H2,1-2H3.
What are the key properties of diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate?
diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate has a molecular weight of 281.19 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-(trifluoromethyl)-1,2-oxazole-3,4-dicarboxylate is sourced from PubChem (CID 1473875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).