(4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C22H25NO3Si — CID 101386970

IUPAC(4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C#C[C@@H]([C@H](O)c1ccccc1)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C22H25NO3Si/c1-27(2,3)15-14-19(21(24)18-12-8-5-9-13-18)23-20(16-26-22(23)25)17-10-6-4-7-11-17/h4-13,19-21,24H,16H2,1-3H3/t19-,20-,21+/m0/s1
InChIKeyYALXEBQTLFJCHW-PCCBWWKXSA-N
MW379.53 g/mol
LogP4.16
Rot. Bonds4

About (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101386970) has the molecular formula C22H25NO3Si and a molecular weight of 379.53 g/mol. Its IUPAC name is (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101386970
Molecular FormulaC22H25NO3Si
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name(4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C#C[C@@H]([C@H](O)c1ccccc1)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C22H25NO3Si/c1-27(2,3)15-14-19(21(24)18-12-8-5-9-13-18)23-20(16-26-22(23)25)17-10-6-4-7-11-17/h4-13,19-21,24H,16H2,1-3H3/t19-,20-,21+/m0/s1
InChIKeyYALXEBQTLFJCHW-PCCBWWKXSA-N
XLogP4.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Ormlfknkrrwlor-irxdydnusa-
CID 15349927
(4S,5S)-3-benzyl-4-(hydroxymethyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 21608987
(4R,5S)-3-benzyl-4-(hydroxymethyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 21608988
3-[(2R)-1-fluoropropan-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 53664408
(4S)-3-((5S)-5-(4-fluorophenyl)-1,5-dihydroxypentyl)-4-phenyloxazolidin-2-one
CID 57609060
benzyl-[(1S,2S)-1-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 66716992
benzyl-[(1R,2S)-1-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 66716993
Tert-butyl 2-(3-fluorophenyl)-2-hydroxy-3-tri(propan-2-yl)silyloxypyrrolidine-1-carboxylate
CID 67028517
(3S)-tert-butyl 2-(3-fluorophenyl)-2-hydroxy-3-(triisopropylsilyloxy)pyrrolidine-1-carboxylate
CID 67028682
3-(1-Fluorobutan-2-yl)-4,5-diphenyl-1,3-oxazolidin-2-one
CID 69817373
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-2-hydroxypyrrolidine-1-carboxylate
CID 140625376
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentyl]-4-phenyl-1,3-oxazolidin-2-one
CID 141322873

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 101386970) is (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one is C[Si](C)(C)C#C[C@@H]([C@H](O)c1ccccc1)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YALXEBQTLFJCHW-PCCBWWKXSA-N. The full InChI is InChI=1S/C22H25NO3Si/c1-27(2,3)15-14-19(21(24)18-12-8-5-9-13-18)23-20(16-26-22(23)25)17-10-6-4-7-11-17/h4-13,19-21,24H,16H2,1-3H3/t19-,20-,21+/m0/s1.
What are the key properties of (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 379.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101386970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).