(4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C28H38N2O4Si — CID 10601279

About (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10601279) has the molecular formula C28H38N2O4Si and a molecular weight of 494.71 g/mol. Its IUPAC name is (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 10601279
• Molecular Formula: C28H38N2O4Si
• Molecular Weight: 494.71 g/mol
• Exact Mass: 494.26
• IUPAC Name: (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: C[C@H](c1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C28H38N2O4Si/c1-19(21-14-10-8-11-15-21)29-24(20(2)34-35(6,7)28(3,4)5)25(26(29)31)30-23(18-33-27(30)32)22-16-12-9-13-17-22/h8-17,19-20,23-25H,18H2,1-7H3/t19-,20-,23-,24-,25+/m1/s1
• InChIKey: BJTHDNLOXUWODY-QEYZJBADSA-N
• XLogP: 5.93
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.71
LogP ≤ 5	5.93
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)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10601279) is (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C[C@H](c1ccccc1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is BJTHDNLOXUWODY-QEYZJBADSA-N. The full InChI is InChI=1S/C28H38N2O4Si/c1-19(21-14-10-8-11-15-21)29-24(20(2)34-35(6,7)28(3,4)5)25(26(29)31)30-23(18-33-27(30)32)22-16-12-9-13-17-22/h8-17,19-20,23-25H,18H2,1-7H3/t19-,20-,23-,24-,25+/m1/s1.

What are the key properties of (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 494.71 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[(2S,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10601279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).