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

C9H11NO5 — CID 134868786

IUPACdiethyl 1,3-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1ncoc1C(=O)OCC
InChIInChI=1S/C9H11NO5/c1-3-13-8(11)6-7(15-5-10-6)9(12)14-4-2/h5H,3-4H2,1-2H3
InChIKeySRYOEGGMASINLV-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.03
Rot. Bonds4

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

diethyl 1,3-oxazole-4,5-dicarboxylate (PubChem CID 134868786) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is diethyl 1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,3-oxazole-4,5-dicarboxylate
PubChem CID134868786
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Namediethyl 1,3-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1ncoc1C(=O)OCC
InChIInChI=1S/C9H11NO5/c1-3-13-8(11)6-7(15-5-10-6)9(12)14-4-2/h5H,3-4H2,1-2H3
InChIKeySRYOEGGMASINLV-UHFFFAOYSA-N
XLogP1.03
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of diethyl 1,3-oxazole-4,5-dicarboxylate (CID 134868786) is diethyl 1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 1,3-oxazole-4,5-dicarboxylate is CCOC(=O)c1ncoc1C(=O)OCC.
What is the InChIKey of diethyl 1,3-oxazole-4,5-dicarboxylate?
The InChIKey is SRYOEGGMASINLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-3-13-8(11)6-7(15-5-10-6)9(12)14-4-2/h5H,3-4H2,1-2H3.
What are the key properties of diethyl 1,3-oxazole-4,5-dicarboxylate?
diethyl 1,3-oxazole-4,5-dicarboxylate has a molecular weight of 213.19 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 134868786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).