1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione

C11H14N4O5 — CID 141062059

IUPAC1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione
SMILESO=C1NN(N2CCOC2=O)C(=O)C(N2CCCC2)C1=O
InChIInChI=1S/C11H14N4O5/c16-8-7(13-3-1-2-4-13)10(18)15(12-9(8)17)14-5-6-20-11(14)19/h7H,1-6H2,(H,12,17)
InChIKeyMCNAVLFFYBKDMW-UHFFFAOYSA-N
MW282.26 g/mol
LogP-1.74
Rot. Bonds2

About 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione

1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione (PubChem CID 141062059) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione.

Molecular Properties

Compound Name1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione
PubChem CID141062059
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione
SMILESO=C1NN(N2CCOC2=O)C(=O)C(N2CCCC2)C1=O
InChIInChI=1S/C11H14N4O5/c16-8-7(13-3-1-2-4-13)10(18)15(12-9(8)17)14-5-6-20-11(14)19/h7H,1-6H2,(H,12,17)
InChIKeyMCNAVLFFYBKDMW-UHFFFAOYSA-N
XLogP-1.74
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-1,3-oxazolidin-2-one
CID 130355886
3-piperidin-3-yl-1,3-oxazolidin-2-one;hydrochloride
CID 167727849
3-acetyl-1,3-oxazepan-2-one
CID 18702579
CID 88533496
CID 88533496
4-piperidin-1-yl-1,3-oxazolidin-2-one
CID 533526
3-nitroso-1,3-oxazinan-2-one
CID 13415149
5-(1,2-dihydroxyethyl)-3-(2-oxo-1,3-oxazolidin-3-yl)-1,3-oxazolidin-2-one
CID 166063571
3-(2-aminopropan-2-yl)-1,3-oxazolidin-2-one
CID 145080919
3-(2-hydroxycyclohexyl)-1,3-oxazolidin-2-one
CID 22949482
oxo-bis(2-oxo-1,3-oxazolidin-3-yl)phosphanium
CID 10987777
3-(azetidin-1-yloxy)-1,3-oxazolidin-2-one
CID 18669399
oxo-[(2-oxo-1,3-oxazolidin-3-yl)oxy]phosphanium;hydrochloride
CID 172751084

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione?
The IUPAC name of 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione (CID 141062059) is 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione.
What is the SMILES notation for 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione?
The canonical SMILES for 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione is O=C1NN(N2CCOC2=O)C(=O)C(N2CCCC2)C1=O.
What is the InChIKey of 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione?
The InChIKey is MCNAVLFFYBKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c16-8-7(13-3-1-2-4-13)10(18)15(12-9(8)17)14-5-6-20-11(14)19/h7H,1-6H2,(H,12,17).
What are the key properties of 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione?
1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione has a molecular weight of 282.26 g/mol, XLogP of -1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-oxazolidin-3-yl)-5-pyrrolidin-1-yldiazinane-3,4,6-trione is sourced from PubChem (CID 141062059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).