(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one

C20H27NO4Si — CID 11303317

IUPAC(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)[C@]1([C@H](O)C#C[Si](C)(C)C)[C@H](C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H27NO4Si/c1-6-17(22)20(18(23)12-13-26(3,4)5)15(2)25-19(24)21(20)14-16-10-8-7-9-11-16/h6-11,15,17-18,22-23H,1,14H2,2-5H3/t15-,17+,18+,20-/m0/s1
InChIKeyDSFHFCDFEVHPGW-MMTROXRISA-N
MW373.53 g/mol
LogP2.55
Rot. Bonds5

About (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one

(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 11303317) has the molecular formula C20H27NO4Si and a molecular weight of 373.53 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID11303317
Molecular FormulaC20H27NO4Si
Molecular Weight373.53 g/mol
Exact Mass373.17
IUPAC Name(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H](O)[C@]1([C@H](O)C#C[Si](C)(C)C)[C@H](C)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H27NO4Si/c1-6-17(22)20(18(23)12-13-26(3,4)5)15(2)25-19(24)21(20)14-16-10-8-7-9-11-16/h6-11,15,17-18,22-23H,1,14H2,2-5H3/t15-,17+,18+,20-/m0/s1
InChIKeyDSFHFCDFEVHPGW-MMTROXRISA-N
XLogP2.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-benzyl-4-[(1R)-1-hydroxyhexadec-2-ynyl]-1,3-oxazolidin-2-one
CID 135050477
(4S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-1,3-oxazolidin-2-one
CID 11436219
(4S,5R)-3-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyclobutyl-5-(3-hydroxyprop-1-en-2-yl)-1,3-oxazolidin-2-one
CID 59254763
(4R,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-5-methyl-2-oxo-1,3-oxazolidine-4-carbaldehyde
CID 11346401
(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1S)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one
CID 11372223
(4R)-3-[(3R,4S)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101386968
(4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101386969
(4R)-3-[(1R,2S)-1-hydroxy-1-phenyl-4-trimethylsilylbut-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 101386970
(4S)-3-benzyl-4-[(1R)-1-hydroxybut-3-enyl]-1,3-oxazolidin-2-one
CID 101847043
(5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one
CID 162411824
3-Benzyl-4-(hydroxymethyl)-4-methyl-2-oxazolidinone
CID 3029679
(4S,5S)-3-benzyl-5-[(E)-pentadec-1-enyl]-4-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one
CID 11050077

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one (CID 11303317) is (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one is C=C[C@@H](O)[C@]1([C@H](O)C#C[Si](C)(C)C)[C@H](C)OC(=O)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is DSFHFCDFEVHPGW-MMTROXRISA-N. The full InChI is InChI=1S/C20H27NO4Si/c1-6-17(22)20(18(23)12-13-26(3,4)5)15(2)25-19(24)21(20)14-16-10-8-7-9-11-16/h6-11,15,17-18,22-23H,1,14H2,2-5H3/t15-,17+,18+,20-/m0/s1.
What are the key properties of (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one?
(4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 373.53 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-4-[(1R)-1-hydroxyprop-2-enyl]-4-[(1R)-1-hydroxy-3-trimethylsilylprop-2-ynyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11303317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).