[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate

C16H15ClN2O6 — CID 8972771

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C16H15ClN2O6/c17-11-4-3-10(8-12(11)18-5-1-2-13(18)20)15(22)25-9-14(21)19-6-7-24-16(19)23/h3-4,8H,1-2,5-7,9H2
InChIKeyVBDMCJQIEMGQRE-UHFFFAOYSA-N
MW366.76 g/mol
LogP1.60
Rot. Bonds4

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

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 8972771) has the molecular formula C16H15ClN2O6 and a molecular weight of 366.76 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID8972771
Molecular FormulaC16H15ClN2O6
Molecular Weight366.76 g/mol
Exact Mass366.06
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C16H15ClN2O6/c17-11-4-3-10(8-12(11)18-5-1-2-13(18)20)15(22)25-9-14(21)19-6-7-24-16(19)23/h3-4,8H,1-2,5-7,9H2
InChIKeyVBDMCJQIEMGQRE-UHFFFAOYSA-N
XLogP1.60
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9380048
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 2630465
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126378
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-phenylbenzoate
CID 8650065
(4-pyrazol-1-ylphenyl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate
CID 9380051
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-methylsulfonylbenzoate
CID 8886975
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
CID 7890817
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8950440
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
CID 8647221
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510585
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952818

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate (CID 8972771) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate is O=C(OCC(=O)N1CCOC1=O)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is VBDMCJQIEMGQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6/c17-11-4-3-10(8-12(11)18-5-1-2-13(18)20)15(22)25-9-14(21)19-6-7-24-16(19)23/h3-4,8H,1-2,5-7,9H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 366.76 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8972771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).