(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one

C18H20NO3P — CID 10687777

IUPAC(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20NO3P/c1-14(2)17-13-22-18(20)19(17)23(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t17-/m1/s1
InChIKeyFHRHECDOZMURQE-QGZVFWFLSA-N
MW329.34 g/mol
LogP3.39
Rot. Bonds4

About (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10687777) has the molecular formula C18H20NO3P and a molecular weight of 329.34 g/mol. Its IUPAC name is (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10687777
Molecular FormulaC18H20NO3P
Molecular Weight329.34 g/mol
Exact Mass329.12
IUPAC Name(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20NO3P/c1-14(2)17-13-22-18(20)19(17)23(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t17-/m1/s1
InChIKeyFHRHECDOZMURQE-QGZVFWFLSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 56934436
3-(Diphenylphosphorylmethyl)-1,3-oxazolidin-2-one
CID 134973982
(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139037559
3-[(E)-2-diphenylphosphoryldec-1-enyl]-1,3-oxazolidin-2-one
CID 164666682
Ethyl 2-diphenylphosphorylpyrrolidine-1-carboxylate
CID 10854845
tert-butyl (2S,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
CID 11319021
tert-butyl (2R,4S)-4-propan-2-yl-2-triphenylstannyl-1,3-oxazolidine-3-carboxylate
CID 11786341
3-(2-Diphenylphosphanylethyl)-1,3-oxazolidin-2-one
CID 130297944
Butyl 3-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
CID 139648135
3-(2-Diphenylphosphanylethyl)-1,3-oxazolidin-2-one;ethane
CID 145024452
4-[[Iodo(triphenyl)-lambda5-phosphanyl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 162743940

Frequently Asked Questions

What is the IUPAC name of (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10687777) is (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FHRHECDOZMURQE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20NO3P/c1-14(2)17-13-22-18(20)19(17)23(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3/t17-/m1/s1.
What are the key properties of (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 329.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10687777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).