ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate

C14H15ClN2O5 — CID 16921016

IUPACethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C14H15ClN2O5/c1-2-21-13(19)12(18)16-7-11-8-17(14(20)22-11)10-5-3-4-9(15)6-10/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeyFAGZADICHZKZNK-UHFFFAOYSA-N
MW326.74 g/mol
LogP1.34
Rot. Bonds4

About ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate

ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate (PubChem CID 16921016) has the molecular formula C14H15ClN2O5 and a molecular weight of 326.74 g/mol. Its IUPAC name is ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
PubChem CID16921016
Molecular FormulaC14H15ClN2O5
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Nameethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C14H15ClN2O5/c1-2-21-13(19)12(18)16-7-11-8-17(14(20)22-11)10-5-3-4-9(15)6-10/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeyFAGZADICHZKZNK-UHFFFAOYSA-N
XLogP1.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689
ethyl 2-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921319
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16921139
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921088
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
CID 40926285
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]oxolane-2-carboxamide
CID 110327953
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate (CID 16921016) is ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate is CCOC(=O)C(=O)NCC1CN(c2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate?
The InChIKey is FAGZADICHZKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5/c1-2-21-13(19)12(18)16-7-11-8-17(14(20)22-11)10-5-3-4-9(15)6-10/h3-6,11H,2,7-8H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate?
ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate has a molecular weight of 326.74 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate is sourced from PubChem (CID 16921016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).