ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate

C13H15NO5 — CID 139842665

IUPACethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1NC(=O)OC1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO5/c1-3-18-12(15)10-11(19-13(16)14-10)8-4-6-9(17-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,14,16)
InChIKeyMKKHWUOMZYTBMS-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.41
Rot. Bonds4

About ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 139842665) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID139842665
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1NC(=O)OC1c1ccc(OC)cc1
InChIInChI=1S/C13H15NO5/c1-3-18-12(15)10-11(19-13(16)14-10)8-4-6-9(17-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,14,16)
InChIKeyMKKHWUOMZYTBMS-UHFFFAOYSA-N
XLogP1.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 139842665) is ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1NC(=O)OC1c1ccc(OC)cc1.
What is the InChIKey of ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is MKKHWUOMZYTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-18-12(15)10-11(19-13(16)14-10)8-4-6-9(17-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,14,16).
What are the key properties of ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-methoxyphenyl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 139842665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).