(4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C32H49NO5Si — CID 177488825

IUPAC(4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](CC(C)C)[C@H](OCc1ccccc1)[C@H](O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C32H49NO5Si/c1-8-39(9-2,10-3)38-27(21-24(4)5)29(36-23-26-19-15-12-16-20-26)30(34)33-28(32(6,7)37-31(33)35)22-25-17-13-11-14-18-25/h11-20,24,27-30,34H,8-10,21-23H2,1-7H3/t27-,28+,29+,30+/m1/s1
InChIKeyUSUQMNZKWWWBRV-RYTSNQFKSA-N
MW555.83 g/mol
LogP7.17
Rot. Bonds15

About (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 177488825) has the molecular formula C32H49NO5Si and a molecular weight of 555.83 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID177488825
Molecular FormulaC32H49NO5Si
Molecular Weight555.83 g/mol
Exact Mass555.34
IUPAC Name(4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC[Si](CC)(CC)O[C@H](CC(C)C)[C@H](OCc1ccccc1)[C@H](O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C32H49NO5Si/c1-8-39(9-2,10-3)38-27(21-24(4)5)29(36-23-26-19-15-12-16-20-26)30(34)33-28(32(6,7)37-31(33)35)22-25-17-13-11-14-18-25/h11-20,24,27-30,34H,8-10,21-23H2,1-7H3/t27-,28+,29+,30+/m1/s1
InChIKeyUSUQMNZKWWWBRV-RYTSNQFKSA-N
XLogP7.17
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.83
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-benzyl-3-[(2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-tris(phenylmethoxy)hexanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 102217319
(4S)-4-benzyl-3-[(2S,3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-tris(phenylmethoxy)hexanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 102217320
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055
(4S)-4-benzyl-3-tert-butyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 176760746
2-(4-benzyl-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)hexyl-phenylmethoxyazanium
CID 22894176
(4R)-4-benzyl-3-(2-chloroacetyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 11594357
(4S)-4-benzyl-3-[(2S)-2-hydroxy-4-phenoxybutanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 102222881
(4S)-4-benzyl-3-(3-ethyl-4,5-dihydro-1,2-oxazole-5-carbonyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 10019529
(4R)-4-benzyl-3-[(2R,3S,4R)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-5-triethylsilyloxypentanoyl]-1,3-oxazolidin-2-one
CID 132553527
(4S)-4-benzyl-5,5-dimethyl-3-[3-(3-methylbutyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-1,3-oxazolidin-2-one
CID 10361929
4-benzyl-5,5-dimethyl-3-(3-thiophen-2-ylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 175084249
benzyl (2S,3R)-2-methyl-3-triethylsilyloxyoctanoate
CID 11337930

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 177488825) is (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC[Si](CC)(CC)O[C@H](CC(C)C)[C@H](OCc1ccccc1)[C@H](O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is USUQMNZKWWWBRV-RYTSNQFKSA-N. The full InChI is InChI=1S/C32H49NO5Si/c1-8-39(9-2,10-3)38-27(21-24(4)5)29(36-23-26-19-15-12-16-20-26)30(34)33-28(32(6,7)37-31(33)35)22-25-17-13-11-14-18-25/h11-20,24,27-30,34H,8-10,21-23H2,1-7H3/t27-,28+,29+,30+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 555.83 g/mol, XLogP of 7.17, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(1S,2S,3R)-1-hydroxy-5-methyl-2-phenylmethoxy-3-triethylsilyloxyhexyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 177488825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).