3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one

C17H18NO2P — CID 130297944

IUPAC3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P/c19-17-18(11-13-20-17)12-14-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyRJXOITNIHWHWPS-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.57
Rot. Bonds5

About 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one

3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one (PubChem CID 130297944) has the molecular formula C17H18NO2P and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one
PubChem CID130297944
Molecular FormulaC17H18NO2P
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P/c19-17-18(11-13-20-17)12-14-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyRJXOITNIHWHWPS-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one (CID 130297944) is 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one?
The InChIKey is RJXOITNIHWHWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO2P/c19-17-18(11-13-20-17)12-14-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one?
3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one has a molecular weight of 299.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130297944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).