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

C8H9NO5 — CID 12720322

IUPACdimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
SMILESCOC(=O)c1noc(C)c1C(=O)OC
InChIInChI=1S/C8H9NO5/c1-4-5(7(10)12-2)6(9-14-4)8(11)13-3/h1-3H3
InChIKeyHUZGMXMZMBKVOA-UHFFFAOYSA-N
MW199.16 g/mol
LogP0.56
Rot. Bonds2

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

dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate (PubChem CID 12720322) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
PubChem CID12720322
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Namedimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
SMILESCOC(=O)c1noc(C)c1C(=O)OC
InChIInChI=1S/C8H9NO5/c1-4-5(7(10)12-2)6(9-14-4)8(11)13-3/h1-3H3
InChIKeyHUZGMXMZMBKVOA-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 5-methyl-1,2-oxazole-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate (CID 12720322) is dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate is COC(=O)c1noc(C)c1C(=O)OC.
What is the InChIKey of dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate?
The InChIKey is HUZGMXMZMBKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5/c1-4-5(7(10)12-2)6(9-14-4)8(11)13-3/h1-3H3.
What are the key properties of dimethyl 5-methyl-1,2-oxazole-3,4-dicarboxylate?
dimethyl 5-methyl-1,2-oxazole-3,4-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 5-methyl-1,2-oxazole-3,4-dicarboxylate is sourced from PubChem (CID 12720322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).