dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate

C13H9F2NO5 — CID 162415457

IUPACdimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2c(F)cccc2F)c1C(=O)OC
InChIInChI=1S/C13H9F2NO5/c1-19-12(17)9-10(16-21-11(9)13(18)20-2)8-6(14)4-3-5-7(8)15/h3-5H,1-2H3
InChIKeyWUFMZWYHYQSPCH-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.19
Rot. Bonds3

About dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate

dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate (PubChem CID 162415457) has the molecular formula C13H9F2NO5 and a molecular weight of 297.21 g/mol. Its IUPAC name is dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate
PubChem CID162415457
Molecular FormulaC13H9F2NO5
Molecular Weight297.21 g/mol
Exact Mass297.04
IUPAC Namedimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1onc(-c2c(F)cccc2F)c1C(=O)OC
InChIInChI=1S/C13H9F2NO5/c1-19-12(17)9-10(16-21-11(9)13(18)20-2)8-6(14)4-3-5-7(8)15/h3-5H,1-2H3
InChIKeyWUFMZWYHYQSPCH-UHFFFAOYSA-N
XLogP2.19
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate (CID 162415457) is dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate is COC(=O)c1onc(-c2c(F)cccc2F)c1C(=O)OC.
What is the InChIKey of dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is WUFMZWYHYQSPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO5/c1-19-12(17)9-10(16-21-11(9)13(18)20-2)8-6(14)4-3-5-7(8)15/h3-5H,1-2H3.
What are the key properties of dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate?
dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 297.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(2,6-difluorophenyl)-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 162415457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).