(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one

C27H29NO4Si — CID 102046794

IUPAC(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO4Si/c1-33(2,22-16-10-5-11-17-22)19-23(25(29)21-14-8-4-9-15-21)26(30)28-24(18-32-27(28)31)20-12-6-3-7-13-20/h3-17,23-25,29H,18-19H2,1-2H3/t23-,24+,25+/m0/s1
InChIKeyUFZNZTIYAIHZTE-ISJGIBHGSA-N
MW459.62 g/mol
LogP4.67
Rot. Bonds7

About (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102046794) has the molecular formula C27H29NO4Si and a molecular weight of 459.62 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID102046794
Molecular FormulaC27H29NO4Si
Molecular Weight459.62 g/mol
Exact Mass459.19
IUPAC Name(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO4Si/c1-33(2,22-16-10-5-11-17-22)19-23(25(29)21-14-8-4-9-15-21)26(30)28-24(18-32-27(28)31)20-12-6-3-7-13-20/h3-17,23-25,29H,18-19H2,1-2H3/t23-,24+,25+/m0/s1
InChIKeyUFZNZTIYAIHZTE-ISJGIBHGSA-N
XLogP4.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102046794) is (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one is C[Si](C)(C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is UFZNZTIYAIHZTE-ISJGIBHGSA-N. The full InChI is InChI=1S/C27H29NO4Si/c1-33(2,22-16-10-5-11-17-22)19-23(25(29)21-14-8-4-9-15-21)26(30)28-24(18-32-27(28)31)20-12-6-3-7-13-20/h3-17,23-25,29H,18-19H2,1-2H3/t23-,24+,25+/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 459.62 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102046794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).