ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate

C13H15NO5 — CID 60673999

IUPACethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC2CNC(=O)O2)cc1
InChIInChI=1S/C13H15NO5/c1-2-17-12(15)9-3-5-10(6-4-9)18-8-11-7-14-13(16)19-11/h3-6,11H,2,7-8H2,1H3,(H,14,16)
InChIKeyQJVXXNYMYJFYPP-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.35
Rot. Bonds5

About ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate

ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate (PubChem CID 60673999) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
PubChem CID60673999
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC2CNC(=O)O2)cc1
InChIInChI=1S/C13H15NO5/c1-2-17-12(15)9-3-5-10(6-4-9)18-8-11-7-14-13(16)19-11/h3-6,11H,2,7-8H2,1H3,(H,14,16)
InChIKeyQJVXXNYMYJFYPP-UHFFFAOYSA-N
XLogP1.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
2-methyl-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonamide
CID 82914735
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939
5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 115494942
2-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 107675374
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
CID 43472370
6-[4-(oxiran-2-ylmethoxy)benzoyl]oxyhexyl 4-(oxiran-2-ylmethoxy)benzoate
CID 102495906
2,2-bis[[4-(oxiran-2-ylmethoxy)benzoyl]oxymethyl]butyl 4-(oxiran-2-ylmethoxy)benzoate
CID 102495905
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
CID 141009924

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate (CID 60673999) is ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate is CCOC(=O)c1ccc(OCC2CNC(=O)O2)cc1.
What is the InChIKey of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate?
The InChIKey is QJVXXNYMYJFYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-2-17-12(15)9-3-5-10(6-4-9)18-8-11-7-14-13(16)19-11/h3-6,11H,2,7-8H2,1H3,(H,14,16).
What are the key properties of ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate?
ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate has a molecular weight of 265.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate is sourced from PubChem (CID 60673999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).