(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

About (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 11050056) has the molecular formula C31H34F3NO4Si and a molecular weight of 569.70 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name	(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID	11050056
Molecular Formula	C31H34F3NO4Si
Molecular Weight	569.70 g/mol
Exact Mass	569.22
IUPAC Name	(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one
SMILES	CC(C)(C)[Si](C)(C)O[C@@H](c1ccc(F)c(F)c1)[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccc(F)cc1
InChI	InChI=1S/C31H34F3NO4Si/c1-31(2,3)40(4,5)39-28(22-13-16-25(33)26(34)18-22)27(21-11-14-23(32)15-12-21)29(36)35-24(19-38-30(35)37)17-20-9-7-6-8-10-20/h6-16,18,24,27-28H,17,19H2,1-5H3/t24-,27-,28+/m1/s1
InChIKey	WXGJNQKMCDLBTK-RTVRTQBESA-N
XLogP	7.54
TPSA	55.84 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.70
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one (CID 11050056) is (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H](c1ccc(F)c(F)c1)[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccc(F)cc1.

What is the InChIKey of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?

The InChIKey is WXGJNQKMCDLBTK-RTVRTQBESA-N. The full InChI is InChI=1S/C31H34F3NO4Si/c1-31(2,3)40(4,5)39-28(22-13-16-25(33)26(34)18-22)27(21-11-14-23(32)15-12-21)29(36)35-24(19-38-30(35)37)17-20-9-7-6-8-10-20/h6-16,18,24,27-28H,17,19H2,1-5H3/t24-,27-,28+/m1/s1.

What are the key properties of (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one?

(4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 569.70 g/mol, XLogP of 7.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11050056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).