(4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one

C21H27NO3Si — CID 134832330

IUPAC(4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](O[Si](C)(C)C)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-5-18(25-26(2,3)4)22-19(16-12-8-6-9-13-16)20(24-21(22)23)17-14-10-7-11-15-17/h6-15,18-20H,5H2,1-4H3/t18-,19-,20+/m1/s1
InChIKeyASTHLRBRVOULAR-AQNXPRMDSA-N
MW369.54 g/mol
LogP5.51
Rot. Bonds6

About (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one

(4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one (PubChem CID 134832330) has the molecular formula C21H27NO3Si and a molecular weight of 369.54 g/mol. Its IUPAC name is (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one
PubChem CID134832330
Molecular FormulaC21H27NO3Si
Molecular Weight369.54 g/mol
Exact Mass369.18
IUPAC Name(4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](O[Si](C)(C)C)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C21H27NO3Si/c1-5-18(25-26(2,3)4)22-19(16-12-8-6-9-13-16)20(24-21(22)23)17-14-10-7-11-15-17/h6-15,18-20H,5H2,1-4H3/t18-,19-,20+/m1/s1
InChIKeyASTHLRBRVOULAR-AQNXPRMDSA-N
XLogP5.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
(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
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
(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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one (CID 134832330) is (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one is CC[C@@H](O[Si](C)(C)C)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one?
The InChIKey is ASTHLRBRVOULAR-AQNXPRMDSA-N. The full InChI is InChI=1S/C21H27NO3Si/c1-5-18(25-26(2,3)4)22-19(16-12-8-6-9-13-16)20(24-21(22)23)17-14-10-7-11-15-17/h6-15,18-20H,5H2,1-4H3/t18-,19-,20+/m1/s1.
What are the key properties of (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one?
(4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one has a molecular weight of 369.54 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-diphenyl-3-[(1R)-1-trimethylsilyloxypropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134832330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).