dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate

C8H9NO5 — CID 104865012

IUPACdimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(C)oc1C(=O)OC
InChIInChI=1S/C8H9NO5/c1-4-9-5(7(10)12-2)6(14-4)8(11)13-3/h1-3H3
InChIKeyLQDXEQSVRLRKJR-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.56
Rot. Bonds2

About dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate (PubChem CID 104865012) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
PubChem CID104865012
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Namedimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(C)oc1C(=O)OC
InChIInChI=1S/C8H9NO5/c1-4-9-5(7(10)12-2)6(14-4)8(11)13-3/h1-3H3
InChIKeyLQDXEQSVRLRKJR-UHFFFAOYSA-N
XLogP0.56
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate (CID 104865012) is dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(C)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is LQDXEQSVRLRKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-4-9-5(7(10)12-2)6(14-4)8(11)13-3/h1-3H3.
What are the key properties of dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 199.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 104865012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).