(4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one

C12H17NO2Si — CID 139263752

IUPAC(4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C[C@@H]1COC(=O)N1)c1ccccc1
InChIInChI=1S/C12H17NO2Si/c1-16(2,11-6-4-3-5-7-11)9-10-8-15-12(14)13-10/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyVKDJQHCKWLAVRX-JTQLQIEISA-N
MW235.36 g/mol
LogP1.71
Rot. Bonds3

About (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one

(4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 139263752) has the molecular formula C12H17NO2Si and a molecular weight of 235.36 g/mol. Its IUPAC name is (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one
PubChem CID139263752
Molecular FormulaC12H17NO2Si
Molecular Weight235.36 g/mol
Exact Mass235.10
IUPAC Name(4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C[C@@H]1COC(=O)N1)c1ccccc1
InChIInChI=1S/C12H17NO2Si/c1-16(2,11-6-4-3-5-7-11)9-10-8-15-12(14)13-10/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyVKDJQHCKWLAVRX-JTQLQIEISA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one
CID 15391415
methyl (2S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121986
Methyl 2-acetamido-3-[dimethyl(phenyl)silyl]propanoate
CID 132559584
Methyl 3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 132559588
3-[(E)-2-[dimethyl(phenyl)silyl]-2-trimethylsilylethenyl]-1,3-oxazolidin-2-one
CID 134848274
(4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-oxazolidin-2-one
CID 134950136
(4S)-4-[[methyl(diphenyl)silyl]methyl]-1,3-oxazolidin-2-one
CID 139263753
(4S)-4-[[tert-butyl(diphenyl)silyl]methyl]-1,3-oxazolidin-2-one
CID 139263754
tert-butyl N-[(E,2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybut-3-en-2-yl]carbamate
CID 11809421
tert-butyl N-[(2R)-4-[dimethyl(phenyl)silyl]-1-hydroxybutan-2-yl]carbamate
CID 15453553
Benzene;1,3-oxazolidin-2-one
CID 18924337

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one (CID 139263752) is (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one is C[Si](C)(C[C@@H]1COC(=O)N1)c1ccccc1.
What is the InChIKey of (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is VKDJQHCKWLAVRX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2Si/c1-16(2,11-6-4-3-5-7-11)9-10-8-15-12(14)13-10/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one?
(4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 235.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[dimethyl(phenyl)silyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139263752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).