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

C28H31NO5Si — CID 102046796

IUPAC(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](O)[C@H](C[Si](C)(C)c2ccccc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H31NO5Si/c1-33-22-16-14-21(15-17-22)26(30)24(19-35(2,3)23-12-8-5-9-13-23)27(31)29-25(18-34-28(29)32)20-10-6-4-7-11-20/h4-17,24-26,30H,18-19H2,1-3H3/t24-,25+,26+/m0/s1
InChIKeyLVRQZMGZWCFCLS-JIMJEQGWSA-N
MW489.64 g/mol
LogP4.68
Rot. Bonds8

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

(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 102046796) has the molecular formula C28H31NO5Si and a molecular weight of 489.64 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID102046796
Molecular FormulaC28H31NO5Si
Molecular Weight489.64 g/mol
Exact Mass489.20
IUPAC Name(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](O)[C@H](C[Si](C)(C)c2ccccc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C28H31NO5Si/c1-33-22-16-14-21(15-17-22)26(30)24(19-35(2,3)23-12-8-5-9-13-23)27(31)29-25(18-34-28(29)32)20-10-6-4-7-11-20/h4-17,24-26,30H,18-19H2,1-3H3/t24-,25+,26+/m0/s1
InChIKeyLVRQZMGZWCFCLS-JIMJEQGWSA-N
XLogP4.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-(4-fluorophenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102046797
(4S)-4-benzyl-3-[(2S)-3,3,3-trifluoro-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]propanoyl]-1,3-oxazolidin-2-one
CID 139039335
(4S,5R)-1-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-5-(3-phenylmethoxypropyl)pyrrolidin-2-one
CID 11730214
Ethyl 2-(dibenzylamino)-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 14824488
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
(4R,5S)-3-[(2R,3S,4S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10884713
(2S,4S)-4-Benzyl-N-benzyloxycarbonyl-2-(4'-methoxyphenyl)-1,3-oxazolidin-5-one
CID 21967713
(S)-4-benzyl-3-[(2S,3R)-3-(4-benzyloxy-2-fluoro-phenyl)-2-ethoxy-3-hydroxy-propionyl]-oxazolidin-2-one
CID 68617291
4-benzyl-3-[(2S,3R)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 68617296
4-benzyl-3-[(2S)-2-ethoxy-3-(2-fluoro-4-phenylmethoxyphenyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 69282342
(4R)-3-[(2S)-2-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 122619961
3-[2-(3-Fluoro-4-methoxyphenyl)-3-hydroxypropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 122619962

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 102046796) is (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-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-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc([C@@H](O)[C@H](C[Si](C)(C)c2ccccc2)C(=O)N2C(=O)OC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LVRQZMGZWCFCLS-JIMJEQGWSA-N. The full InChI is InChI=1S/C28H31NO5Si/c1-33-22-16-14-21(15-17-22)26(30)24(19-35(2,3)23-12-8-5-9-13-23)27(31)29-25(18-34-28(29)32)20-10-6-4-7-11-20/h4-17,24-26,30H,18-19H2,1-3H3/t24-,25+,26+/m0/s1.
What are the key properties of (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 489.64 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102046796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).