[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate

C12H10N2O7 — CID 8647221

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O7/c15-10(13-4-5-20-12(13)17)7-21-11(16)8-2-1-3-9(6-8)14(18)19/h1-3,6H,4-5,7H2
InChIKeyWMYHFZWHMXFZFT-UHFFFAOYSA-N
MW294.22 g/mol
LogP0.73
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate (PubChem CID 8647221) has the molecular formula C12H10N2O7 and a molecular weight of 294.22 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
PubChem CID8647221
Molecular FormulaC12H10N2O7
Molecular Weight294.22 g/mol
Exact Mass294.05
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate
SMILESO=C(OCC(=O)N1CCOC1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O7/c15-10(13-4-5-20-12(13)17)7-21-11(16)8-2-1-3-9(6-8)14(18)19/h1-3,6H,4-5,7H2
InChIKeyWMYHFZWHMXFZFT-UHFFFAOYSA-N
XLogP0.73
TPSA116.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-nitrobenzoate
CID 7768777
2-(3-nitrobenzoyl)oxyacetic acid
CID 86135249
[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-methylsulfonylbenzoate
CID 8886975
[2-(3-nitrophenyl)-2-oxoethyl] 3,5-dinitrobenzoate
CID 21177389
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-nitrobenzoate
CID 2352495
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-nitrobenzoate
CID 2622390
2-piperidin-1-ylethyl 3-nitrobenzoate
CID 790139
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-methylbenzoate
CID 27315424
[2-(3-nitrophenyl)-2-oxoethyl] 3-chlorobenzoate
CID 2899159
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126378
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843493

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate (CID 8647221) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate is O=C(OCC(=O)N1CCOC1=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate?
The InChIKey is WMYHFZWHMXFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O7/c15-10(13-4-5-20-12(13)17)7-21-11(16)8-2-1-3-9(6-8)14(18)19/h1-3,6H,4-5,7H2.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate has a molecular weight of 294.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3-nitrobenzoate is sourced from PubChem (CID 8647221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).