(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H22NO3P — CID 56934436

IUPAC(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N([P@](C)(=O)c2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C15H22NO3P/c1-11(2)13-15(3,4)19-14(17)16(13)20(5,18)12-9-7-6-8-10-12/h6-11,13H,1-5H3/t13-,20+/m0/s1
InChIKeyKIWQDVZQWLGESH-RNODOKPDSA-N
MW295.32 g/mol
LogP3.48
Rot. Bonds3

About (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 56934436) has the molecular formula C15H22NO3P and a molecular weight of 295.32 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID56934436
Molecular FormulaC15H22NO3P
Molecular Weight295.32 g/mol
Exact Mass295.13
IUPAC Name(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N([P@](C)(=O)c2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C15H22NO3P/c1-11(2)13-15(3,4)19-14(17)16(13)20(5,18)12-9-7-6-8-10-12/h6-11,13H,1-5H3/t13-,20+/m0/s1
InChIKeyKIWQDVZQWLGESH-RNODOKPDSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.48
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

(4S)-3-diphenylphosphoryl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10687777
tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate
CID 11359186
(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139037559
tert-butyl (4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate
CID 177524653

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 56934436) is (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1N([P@](C)(=O)c2ccccc2)C(=O)OC1(C)C.
What is the InChIKey of (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is KIWQDVZQWLGESH-RNODOKPDSA-N. The full InChI is InChI=1S/C15H22NO3P/c1-11(2)13-15(3,4)19-14(17)16(13)20(5,18)12-9-7-6-8-10-12/h6-11,13H,1-5H3/t13-,20+/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 295.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 56934436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).