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

C16H20N2O5 — CID 135010318

IUPACethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](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/t13-,14-/m1/s1
InChIKeyJMTSXJHWBKLRPA-ZIAGYGMSSA-N
MW320.35 g/mol
LogP1.53
Rot. Bonds5

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

ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate (PubChem CID 135010318) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate
PubChem CID135010318
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H](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/t13-,14-/m1/s1
InChIKeyJMTSXJHWBKLRPA-ZIAGYGMSSA-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

Analyze ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate (CID 135010318) is ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate is CCOC(=O)[C@H]1C[C@H](N2CCOC2=O)ON1Cc1ccccc1.
What is the InChIKey of ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
The InChIKey is JMTSXJHWBKLRPA-ZIAGYGMSSA-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/t13-,14-/m1/s1.
What are the key properties of ethyl (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate?
ethyl (3R,5R)-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 (3R,5R)-2-benzyl-5-(2-oxo-1,3-oxazolidin-3-yl)-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 135010318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).