(4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C32H38N2O4Si — CID 10578424

About (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10578424) has the molecular formula C32H38N2O4Si and a molecular weight of 542.75 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10578424
• Molecular Formula: C32H38N2O4Si
• Molecular Weight: 542.75 g/mol
• Exact Mass: 542.26
• IUPAC Name: (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C32H38N2O4Si/c1-32(2,3)39(4,5)38-29(25-19-13-8-14-20-25)27-28(30(35)33(27)21-23-15-9-6-10-16-23)34-26(22-37-31(34)36)24-17-11-7-12-18-24/h6-20,26-29H,21-22H2,1-5H3/t26-,27+,28+,29+/m1/s1
• InChIKey: SNEXSQIIXMVWFS-VVZGZWEYSA-N
• XLogP: 6.72
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.75
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10578424) is (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1Cc1ccccc1.

What is the InChIKey of (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is SNEXSQIIXMVWFS-VVZGZWEYSA-N. The full InChI is InChI=1S/C32H38N2O4Si/c1-32(2,3)39(4,5)38-29(25-19-13-8-14-20-25)27-28(30(35)33(27)21-23-15-9-6-10-16-23)34-26(22-37-31(34)36)24-17-11-7-12-18-24/h6-20,26-29H,21-22H2,1-5H3/t26-,27+,28+,29+/m1/s1.

What are the key properties of (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 542.75 g/mol, XLogP of 6.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S,3S)-1-benzyl-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10578424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).