(4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one

C23H37NO5Si — CID 67148562

IUPAC(4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(CO)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H37NO5Si/c1-16(14-25)20(29-30(6,7)23(3,4)5)17(2)21(26)24-19(15-28-22(24)27)13-18-11-9-8-10-12-18/h8-12,16-17,19-20,25H,13-15H2,1-7H3/t16?,17?,19-,20?/m0/s1
InChIKeyRJGTULNYWPJNFX-JLYZFGFVSA-N
MW435.64 g/mol
LogP4.23
Rot. Bonds8

About (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 67148562) has the molecular formula C23H37NO5Si and a molecular weight of 435.64 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID67148562
Molecular FormulaC23H37NO5Si
Molecular Weight435.64 g/mol
Exact Mass435.24
IUPAC Name(4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC(CO)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H37NO5Si/c1-16(14-25)20(29-30(6,7)23(3,4)5)17(2)21(26)24-19(15-28-22(24)27)13-18-11-9-8-10-12-18/h8-12,16-17,19-20,25H,13-15H2,1-7H3/t16?,17?,19-,20?/m0/s1
InChIKeyRJGTULNYWPJNFX-JLYZFGFVSA-N
XLogP4.23
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.64
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one (CID 67148562) is (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one is CC(CO)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is RJGTULNYWPJNFX-JLYZFGFVSA-N. The full InChI is InChI=1S/C23H37NO5Si/c1-16(14-25)20(29-30(6,7)23(3,4)5)17(2)21(26)24-19(15-28-22(24)27)13-18-11-9-8-10-12-18/h8-12,16-17,19-20,25H,13-15H2,1-7H3/t16?,17?,19-,20?/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 435.64 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67148562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).