(4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C30H35NO4Si — CID 10625243

IUPAC(4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H35NO4Si/c1-23-28(24-15-8-5-9-16-24)35-29(33)31(23)27(32)21-14-22-34-36(30(2,3)4,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,23,28H,14,21-22H2,1-4H3/t23-,28-/m0/s1
InChIKeySCFGUKBTTBRBLS-FIPFOOKPSA-N
MW501.70 g/mol
LogP5.45
Rot. Bonds8

About (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 10625243) has the molecular formula C30H35NO4Si and a molecular weight of 501.70 g/mol. Its IUPAC name is (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID10625243
Molecular FormulaC30H35NO4Si
Molecular Weight501.70 g/mol
Exact Mass501.23
IUPAC Name(4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H35NO4Si/c1-23-28(24-15-8-5-9-16-24)35-29(33)31(23)27(32)21-14-22-34-36(30(2,3)4,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,23,28H,14,21-22H2,1-4H3/t23-,28-/m0/s1
InChIKeySCFGUKBTTBRBLS-FIPFOOKPSA-N
XLogP5.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.70
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-3-butanoyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11118383
(4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10826523
(4R,5S)-3-[(E,2R)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11079493
(4R,5S)-3-[(2R)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 15402825
(4R,5S)-3-[(E,2S)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 134905357
(4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135055248
(4S,5R)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135055387
(4S,5R)-3-[(2S)-2-fluoro-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135056188
(4S)-3-[(2R)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10906067
(4S)-3-[(2S)-3-methyl-2-phenylmethoxybut-3-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893992
(4S,5R)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone
CID 853439
(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone
CID 853442

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 10625243) is (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is SCFGUKBTTBRBLS-FIPFOOKPSA-N. The full InChI is InChI=1S/C30H35NO4Si/c1-23-28(24-15-8-5-9-16-24)35-29(33)31(23)27(32)21-14-22-34-36(30(2,3)4,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,23,28H,14,21-22H2,1-4H3/t23-,28-/m0/s1.
What are the key properties of (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 501.70 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10625243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).