3-diphenylphosphoryl-1,3-oxazolidin-2-one

C15H14NO3P — CID 878715

IUPAC3-diphenylphosphoryl-1,3-oxazolidin-2-one
SMILESO=C1OCCN1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NO3P/c17-15-16(11-12-19-15)20(18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXHKYRHUCVMNTFJ-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.37
Rot. Bonds3

About 3-diphenylphosphoryl-1,3-oxazolidin-2-one

3-diphenylphosphoryl-1,3-oxazolidin-2-one (PubChem CID 878715) has the molecular formula C15H14NO3P and a molecular weight of 287.26 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-diphenylphosphoryl-1,3-oxazolidin-2-one
PubChem CID878715
Molecular FormulaC15H14NO3P
Molecular Weight287.26 g/mol
Exact Mass287.07
IUPAC Name3-diphenylphosphoryl-1,3-oxazolidin-2-one
SMILESO=C1OCCN1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14NO3P/c17-15-16(11-12-19-15)20(18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXHKYRHUCVMNTFJ-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-1,3-oxazolidin-2-one?
The IUPAC name of 3-diphenylphosphoryl-1,3-oxazolidin-2-one (CID 878715) is 3-diphenylphosphoryl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-diphenylphosphoryl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-diphenylphosphoryl-1,3-oxazolidin-2-one is O=C1OCCN1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphoryl-1,3-oxazolidin-2-one?
The InChIKey is XHKYRHUCVMNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO3P/c17-15-16(11-12-19-15)20(18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 3-diphenylphosphoryl-1,3-oxazolidin-2-one?
3-diphenylphosphoryl-1,3-oxazolidin-2-one has a molecular weight of 287.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1,3-oxazolidin-2-one is sourced from PubChem (CID 878715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).