dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate

C11H10N2O6 — CID 102953712

IUPACdimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cc(C)on2)oc1C(=O)OC
InChIInChI=1S/C11H10N2O6/c1-5-4-6(13-19-5)9-12-7(10(14)16-2)8(18-9)11(15)17-3/h4H,1-3H3
InChIKeyXCJVYMVSIYRUKJ-UHFFFAOYSA-N
MW266.21 g/mol
LogP1.21
Rot. Bonds3

About dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953712) has the molecular formula C11H10N2O6 and a molecular weight of 266.21 g/mol. Its IUPAC name is dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953712
Molecular FormulaC11H10N2O6
Molecular Weight266.21 g/mol
Exact Mass266.05
IUPAC Namedimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cc(C)on2)oc1C(=O)OC
InChIInChI=1S/C11H10N2O6/c1-5-4-6(13-19-5)9-12-7(10(14)16-2)8(18-9)11(15)17-3/h4H,1-3H3
InChIKeyXCJVYMVSIYRUKJ-UHFFFAOYSA-N
XLogP1.21
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate (CID 102953712) is dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(-c2cc(C)on2)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is XCJVYMVSIYRUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6/c1-5-4-6(13-19-5)9-12-7(10(14)16-2)8(18-9)11(15)17-3/h4H,1-3H3.
What are the key properties of dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 266.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).