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

C19H24NO2P — CID 145024452

IUPAC3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.O=C1OCCN1CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P.C2H6/c19-17-18(11-13-20-17)12-14-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2/h1-10H,11-14H2;1-2H3
InChIKeyNKEBJKNSPSEVCL-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.60
Rot. Bonds5

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

3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane (PubChem CID 145024452) has the molecular formula C19H24NO2P and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Name3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane
PubChem CID145024452
Molecular FormulaC19H24NO2P
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane
SMILESCC.O=C1OCCN1CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18NO2P.C2H6/c19-17-18(11-13-20-17)12-14-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2/h1-10H,11-14H2;1-2H3
InChIKeyNKEBJKNSPSEVCL-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
tert-Butyl (S)-2-((diphenylphosphanyl)methyl)pyrrolidine-1-carboxylate
CID 15083816
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium
CID 11827058
(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10687777
tert-butyl (2S)-2-(diphenylphosphanylmethyl)-2,5-dihydropyrrole-1-carboxylate
CID 132566679
3-(2-Diphenylphosphorylbutanoyl)-1,3-oxazolidin-2-one
CID 134944343
3-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982
3-[(3R)-3-diphenylphosphorylbutanoyl]-1,3-oxazolidin-2-one
CID 139256768
3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
CID 164666682
[(Z)-(ethoxycarbonylamino)-(3-methyl-1,3-oxazolidin-2-ylidene)methyl]-triphenylphosphanium
CID 172674920
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
3-Methyl-5-[2-(triphenyl-lambda5-phosphanylidene)ethyl]-1,3-oxazolidin-2-one
CID 59351917

Frequently Asked Questions

What is the IUPAC name of 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane?
The IUPAC name of 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane (CID 145024452) is 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane is CC.O=C1OCCN1CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane?
The InChIKey is NKEBJKNSPSEVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18NO2P.C2H6/c19-17-18(11-13-20-17)12-14-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-2/h1-10H,11-14H2;1-2H3.
What are the key properties of 3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane?
3-(2-diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane has a molecular weight of 329.38 g/mol, XLogP of 3.60, 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;ethane is sourced from PubChem (CID 145024452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).