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

C7H7NO5 — CID 819934

IUPACdimethyl 1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1ncoc1C(=O)OC
InChIInChI=1S/C7H7NO5/c1-11-6(9)4-5(7(10)12-2)13-3-8-4/h3H,1-2H3
InChIKeyLYRDBSFJJDATFO-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.25
Rot. Bonds2

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

dimethyl 1,3-oxazole-4,5-dicarboxylate (PubChem CID 819934) has the molecular formula C7H7NO5 and a molecular weight of 185.13 g/mol. Its IUPAC name is dimethyl 1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,3-oxazole-4,5-dicarboxylate
PubChem CID819934
Molecular FormulaC7H7NO5
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Namedimethyl 1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1ncoc1C(=O)OC
InChIInChI=1S/C7H7NO5/c1-11-6(9)4-5(7(10)12-2)13-3-8-4/h3H,1-2H3
InChIKeyLYRDBSFJJDATFO-UHFFFAOYSA-N
XLogP0.25
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 1,3-oxazole-4,5-dicarboxylate (CID 819934) is dimethyl 1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 1,3-oxazole-4,5-dicarboxylate is COC(=O)c1ncoc1C(=O)OC.
What is the InChIKey of dimethyl 1,3-oxazole-4,5-dicarboxylate?
The InChIKey is LYRDBSFJJDATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5/c1-11-6(9)4-5(7(10)12-2)13-3-8-4/h3H,1-2H3.
What are the key properties of dimethyl 1,3-oxazole-4,5-dicarboxylate?
dimethyl 1,3-oxazole-4,5-dicarboxylate has a molecular weight of 185.13 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 819934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).