(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

C28H35NO3Si — CID 11225000

IUPAC(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)[C@@H](O)C(=C=CN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)[Si](C)(C)C
InChIInChI=1S/C28H35NO3Si/c1-20(2)25(30)24(33(5,6)7)18-19-29-26(21(3)4)28(32-27(29)31,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,19,21,25-26,30H,1H2,2-7H3/t18?,25-,26+/m1/s1
InChIKeyVOHGGNMBFKPVAR-CVUKIUKHSA-N
MW461.68 g/mol
LogP6.26
Rot. Bonds7

About (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11225000) has the molecular formula C28H35NO3Si and a molecular weight of 461.68 g/mol. Its IUPAC name is (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11225000
Molecular FormulaC28H35NO3Si
Molecular Weight461.68 g/mol
Exact Mass461.24
IUPAC Name(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=C(C)[C@@H](O)C(=C=CN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)[Si](C)(C)C
InChIInChI=1S/C28H35NO3Si/c1-20(2)25(30)24(33(5,6)7)18-19-29-26(21(3)4)28(32-27(29)31,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,19,21,25-26,30H,1H2,2-7H3/t18?,25-,26+/m1/s1
InChIKeyVOHGGNMBFKPVAR-CVUKIUKHSA-N
XLogP6.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.68
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxy-2-phenylethyl)-2-methyl-3-phenylpyrrolidin-3-yl propanoate
CID 3055186
1-(3-Hydroxy-3-phenylpropyl)-2-methyl-3-phenylpyrrolidin-3-yl propanoate
CID 3055187
(4S)-3-[(1S,2S)-2-hydroxy-3-methyl-1-methylsulfanylbutyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11418525
(4S)-3-[(1S,2R)-2-hydroxy-3-methyl-1-methylsulfanylbutyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11452694
(4S)-3-[[iodomethyl(dimethyl)silyl]methyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12076581
(4S)-3-[(1S,2S)-2-hydroxy-3-methyl-1-methylsulfanylbut-3-enyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893985
ethyl (S)-2-(hydroxydiphenylmethyl)pyrrolidine-1-carboxylate
CID 11324825
benzyl (2S)-2-[(R)-hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate
CID 15021041
tert-Butyl (4R,5R)-4-(hydroxymethyl)-2,2-dimethyl-5-phenyloxazolidine-3-carboxylate
CID 58420330
(4S)-3-methyl-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59426821
(4R)-3-[(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363267
(2R)-4-(3-fluorophenyl)-4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidin-1-ium-1-carboxylic acid
CID 57298085

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11225000) is (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=C(C)[C@@H](O)C(=C=CN1C(=O)OC(c2ccccc2)(c2ccccc2)[C@@H]1C(C)C)[Si](C)(C)C.
What is the InChIKey of (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is VOHGGNMBFKPVAR-CVUKIUKHSA-N. The full InChI is InChI=1S/C28H35NO3Si/c1-20(2)25(30)24(33(5,6)7)18-19-29-26(21(3)4)28(32-27(29)31,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,19,21,25-26,30H,1H2,2-7H3/t18?,25-,26+/m1/s1.
What are the key properties of (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 461.68 g/mol, XLogP of 6.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(4R)-4-hydroxy-5-methyl-3-trimethylsilylhexa-1,2,5-trienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11225000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).