ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate

C16H20N2O5 — CID 102477683

IUPACethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(N2CCOC2=O)ON1Cc1ccccc1
InChIInChI=1S/C16H20N2O5/c1-2-21-15(19)13-10-14(17-8-9-22-16(17)20)23-18(13)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyJMTSXJHWBKLRPA-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.53
Rot. Bonds5

About ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate

ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate (PubChem CID 102477683) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate
PubChem CID102477683
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(N2CCOC2=O)ON1Cc1ccccc1
InChIInChI=1S/C16H20N2O5/c1-2-21-15(19)13-10-14(17-8-9-22-16(17)20)23-18(13)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
InChIKeyJMTSXJHWBKLRPA-UHFFFAOYSA-N
XLogP1.53
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate (CID 102477683) is ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate is CCOC(=O)C1CC(N2CCOC2=O)ON1Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
The InChIKey is JMTSXJHWBKLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-2-21-15(19)13-10-14(17-8-9-22-16(17)20)23-18(13)11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3.
What are the key properties of ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 102477683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).