(4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one

C21H23NO2Si — CID 11617227

IUPAC(4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C#CCN1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H23NO2Si/c1-25(2,3)16-10-15-22-19(17-11-6-4-7-12-17)20(24-21(22)23)18-13-8-5-9-14-18/h4-9,11-14,19-20H,15H2,1-3H3/t19-,20+/m0/s1
InChIKeyXPAJYWIJFOYXMM-VQTJNVASSA-N
MW349.51 g/mol
LogP4.80
Rot. Bonds3

About (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one

(4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one (PubChem CID 11617227) has the molecular formula C21H23NO2Si and a molecular weight of 349.51 g/mol. Its IUPAC name is (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one
PubChem CID11617227
Molecular FormulaC21H23NO2Si
Molecular Weight349.51 g/mol
Exact Mass349.15
IUPAC Name(4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C#CCN1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H23NO2Si/c1-25(2,3)16-10-15-22-19(17-11-6-4-7-12-17)20(24-21(22)23)18-13-8-5-9-14-18/h4-9,11-14,19-20H,15H2,1-3H3/t19-,20+/m0/s1
InChIKeyXPAJYWIJFOYXMM-VQTJNVASSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
Ephedroxane
CID 161171
Mlv 3076
CID 128596
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4R-cis)-
CID 13713344
2-Oxazolidinone, 4-(2-methylpropyl)-5-phenyl-3-(3-(1-piperidinyl)propyl)-, (4S-trans)-
CID 13713346

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one (CID 11617227) is (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one is C[Si](C)(C)C#CCN1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
The InChIKey is XPAJYWIJFOYXMM-VQTJNVASSA-N. The full InChI is InChI=1S/C21H23NO2Si/c1-25(2,3)16-10-15-22-19(17-11-6-4-7-12-17)20(24-21(22)23)18-13-8-5-9-14-18/h4-9,11-14,19-20H,15H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
(4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one has a molecular weight of 349.51 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-diphenyl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11617227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).