[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride

C28H25ClNO2P — CID 11123579

IUPAC[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride
SMILESO=C1OC[C@@H](c2ccccc2)N1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C28H25NO2P.ClH/c30-28-29(27(21-31-28)23-13-5-1-6-14-23)22-32(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20,27H,21-22H2;1H/q+1;/p-1/t27-;/m0./s1
InChIKeyIPTUBZSFMGLADH-YCBFMBTMSA-M
MW473.94 g/mol
LogP2.14
Rot. Bonds6

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

[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride (PubChem CID 11123579) has the molecular formula C28H25ClNO2P and a molecular weight of 473.94 g/mol. Its IUPAC name is [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride.

Molecular Properties

Compound Name[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride
PubChem CID11123579
Molecular FormulaC28H25ClNO2P
Molecular Weight473.94 g/mol
Exact Mass473.13
IUPAC Name[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride
SMILESO=C1OC[C@@H](c2ccccc2)N1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C28H25NO2P.ClH/c30-28-29(27(21-31-28)23-13-5-1-6-14-23)22-32(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20,27H,21-22H2;1H/q+1;/p-1/t27-;/m0./s1
InChIKeyIPTUBZSFMGLADH-YCBFMBTMSA-M
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 52.14
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 [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride?
The IUPAC name of [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride (CID 11123579) is [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride.
What is the SMILES notation for [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride?
The canonical SMILES for [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride is O=C1OC[C@@H](c2ccccc2)N1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride?
The InChIKey is IPTUBZSFMGLADH-YCBFMBTMSA-M. The full InChI is InChI=1S/C28H25NO2P.ClH/c30-28-29(27(21-31-28)23-13-5-1-6-14-23)22-32(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20,27H,21-22H2;1H/q+1;/p-1/t27-;/m0./s1.
What are the key properties of [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride?
[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride has a molecular weight of 473.94 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl-triphenylphosphanium chloride is sourced from PubChem (CID 11123579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).