(4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one

C30H35NO4Si — CID 11785349

IUPAC(4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-30(2,3)36(26-16-9-5-10-17-26,27-18-11-6-12-19-27)35-21-13-20-28(32)31-25(23-34-29(31)33)22-24-14-7-4-8-15-24/h4-12,14-19,25H,13,20-23H2,1-3H3/t25-/m0/s1
InChIKeyHOHFGFJGWPJPCW-VWLOTQADSA-N
MW501.70 g/mol
LogP4.93
Rot. Bonds9

About (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one (PubChem CID 11785349) has the molecular formula C30H35NO4Si and a molecular weight of 501.70 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
PubChem CID11785349
Molecular FormulaC30H35NO4Si
Molecular Weight501.70 g/mol
Exact Mass501.23
IUPAC Name(4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](OCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35NO4Si/c1-30(2,3)36(26-16-9-5-10-17-26,27-18-11-6-12-19-27)35-21-13-20-28(32)31-25(23-34-29(31)33)22-24-14-7-4-8-15-24/h4-12,14-19,25H,13,20-23H2,1-3H3/t25-/m0/s1
InChIKeyHOHFGFJGWPJPCW-VWLOTQADSA-N
XLogP4.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one (CID 11785349) is (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](OCCCC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HOHFGFJGWPJPCW-VWLOTQADSA-N. The full InChI is InChI=1S/C30H35NO4Si/c1-30(2,3)36(26-16-9-5-10-17-26,27-18-11-6-12-19-27)35-21-13-20-28(32)31-25(23-34-29(31)33)22-24-14-7-4-8-15-24/h4-12,14-19,25H,13,20-23H2,1-3H3/t25-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 501.70 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[4-[tert-butyl(diphenyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11785349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).