3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one

C12H13N2O5P — CID 142711303

IUPAC3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1P(=O)(c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H13N2O5P/c15-11-13(6-8-18-11)20(17,10-4-2-1-3-5-10)14-7-9-19-12(14)16/h1-5H,6-9H2
InChIKeyCMCZIGTXIVBHFS-UHFFFAOYSA-N
MW296.22 g/mol
LogP1.41
Rot. Bonds3

About 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one

3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one (PubChem CID 142711303) has the molecular formula C12H13N2O5P and a molecular weight of 296.22 g/mol. Its IUPAC name is 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one
PubChem CID142711303
Molecular FormulaC12H13N2O5P
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1P(=O)(c1ccccc1)N1CCOC1=O
InChIInChI=1S/C12H13N2O5P/c15-11-13(6-8-18-11)20(17,10-4-2-1-3-5-10)14-7-9-19-12(14)16/h1-5H,6-9H2
InChIKeyCMCZIGTXIVBHFS-UHFFFAOYSA-N
XLogP1.41
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Diphenylphosphoryl-1,3-oxazolidin-2-one
CID 878715
3-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one (CID 142711303) is 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one is O=C1OCCN1P(=O)(c1ccccc1)N1CCOC1=O.
What is the InChIKey of 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one?
The InChIKey is CMCZIGTXIVBHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O5P/c15-11-13(6-8-18-11)20(17,10-4-2-1-3-5-10)14-7-9-19-12(14)16/h1-5H,6-9H2.
What are the key properties of 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one?
3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one has a molecular weight of 296.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1,3-oxazolidin-3-yl)-phenylphosphoryl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 142711303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).