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

C27H37NO4Si — CID 154708522

IUPAC(4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C27H37NO4Si/c1-27(2,3)33(4,5)32-17-16-23(18-21-12-8-6-9-13-21)25(29)28-24(20-31-26(28)30)19-22-14-10-7-11-15-22/h6-15,23-24H,16-20H2,1-5H3/t23-,24+/m1/s1
InChIKeyDRWMKHOWNGNOJP-RPWUZVMVSA-N
MW467.68 g/mol
LogP5.85
Rot. Bonds9

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

(4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one (PubChem CID 154708522) has the molecular formula C27H37NO4Si and a molecular weight of 467.68 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
PubChem CID154708522
Molecular FormulaC27H37NO4Si
Molecular Weight467.68 g/mol
Exact Mass467.25
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C27H37NO4Si/c1-27(2,3)33(4,5)32-17-16-23(18-21-12-8-6-9-13-21)25(29)28-24(20-31-26(28)30)19-22-14-10-7-11-15-22/h6-15,23-24H,16-20H2,1-5H3/t23-,24+/m1/s1
InChIKeyDRWMKHOWNGNOJP-RPWUZVMVSA-N
XLogP5.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.68
LogP ≤ 55.85
H-Bond Donors ≤ 50
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)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one (CID 154708522) is (4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCC[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is DRWMKHOWNGNOJP-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H37NO4Si/c1-27(2,3)33(4,5)32-17-16-23(18-21-12-8-6-9-13-21)25(29)28-24(20-31-26(28)30)19-22-14-10-7-11-15-22/h6-15,23-24H,16-20H2,1-5H3/t23-,24+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 467.68 g/mol, XLogP of 5.85, 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-[(2S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxybutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154708522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).