(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine

C14H22NO4P — CID 102384469

IUPAC(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@H](c2ccccc2)ON1C
InChIInChI=1S/C14H22NO4P/c1-4-17-20(16,18-5-2)14-11-13(19-15(14)3)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyYZSQCIIMGMTSCK-UONOGXRCSA-N
MW299.31 g/mol
LogP3.59
Rot. Bonds6

About (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine

(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine (PubChem CID 102384469) has the molecular formula C14H22NO4P and a molecular weight of 299.31 g/mol. Its IUPAC name is (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
PubChem CID102384469
Molecular FormulaC14H22NO4P
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC Name(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@H](c2ccccc2)ON1C
InChIInChI=1S/C14H22NO4P/c1-4-17-20(16,18-5-2)14-11-13(19-15(14)3)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyYZSQCIIMGMTSCK-UONOGXRCSA-N
XLogP3.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
CID 72946419
(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine
CID 72946058
(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(2-nitrophenyl)-1,2-oxazolidine
CID 72946242
(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
CID 72946420
[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 135059999
(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine
CID 134998390
(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71524733
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
3-benzoyl-1-[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]quinazoline-2,4-dione
CID 86279464
(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide
CID 71718927
(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71525228
(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71524675

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine?
The IUPAC name of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine (CID 102384469) is (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine?
The canonical SMILES for (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine is CCOP(=O)(OCC)[C@@H]1C[C@@H](c2ccccc2)ON1C.
What is the InChIKey of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine?
The InChIKey is YZSQCIIMGMTSCK-UONOGXRCSA-N. The full InChI is InChI=1S/C14H22NO4P/c1-4-17-20(16,18-5-2)14-11-13(19-15(14)3)12-9-7-6-8-10-12/h6-10,13-14H,4-5,11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine?
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine has a molecular weight of 299.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine is sourced from PubChem (CID 102384469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).