[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium

C22H21NO2P+ — CID 11827058

IUPAC[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium
SMILESO=C1N[C@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C22H20NO2P/c24-22-23-18(16-25-22)17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2/p+1/t18-/m0/s1
InChIKeyQERQOHBVCJHRLF-SFHVURJKSA-O
MW362.39 g/mol
LogP3.09
Rot. Bonds5

About [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium

[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium (PubChem CID 11827058) has the molecular formula C22H21NO2P+ and a molecular weight of 362.39 g/mol. Its IUPAC name is [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium
PubChem CID11827058
Molecular FormulaC22H21NO2P+
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium
SMILESO=C1N[C@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CO1
InChIInChI=1S/C22H20NO2P/c24-22-23-18(16-25-22)17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2/p+1/t18-/m0/s1
InChIKeyQERQOHBVCJHRLF-SFHVURJKSA-O
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
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 [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium?
The IUPAC name of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium (CID 11827058) is [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium.
What is the SMILES notation for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium?
The canonical SMILES for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium is O=C1N[C@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CO1.
What is the InChIKey of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium?
The InChIKey is QERQOHBVCJHRLF-SFHVURJKSA-O. The full InChI is InChI=1S/C22H20NO2P/c24-22-23-18(16-25-22)17-26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2/p+1/t18-/m0/s1.
What are the key properties of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium?
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium has a molecular weight of 362.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl-triphenylphosphanium is sourced from PubChem (CID 11827058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).