tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C20H37F3N4O4Si — CID 131742073

About tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 131742073) has the molecular formula C20H37F3N4O4Si and a molecular weight of 482.62 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 131742073
• Molecular Formula: C20H37F3N4O4Si
• Molecular Weight: 482.62 g/mol
• Exact Mass: 482.25
• IUPAC Name: tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])C(F)(F)F)COC1(C)C
• InChI: InChI=1S/C20H37F3N4O4Si/c1-17(2,3)30-16(28)27-14(12-29-19(27,7)8)15(31-32(9,10)18(4,5)6)13(11-25-26-24)20(21,22)23/h13-15H,11-12H2,1-10H3/t13-,14+,15+/m0/s1
• InChIKey: AJFMWJRZGKBYIK-RRFJBIMHSA-N
• XLogP: 6.24
• TPSA: 96.76 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.62
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 131742073) is tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](CN=[N+]=[N-])C(F)(F)F)COC1(C)C.

What is the InChIKey of tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is AJFMWJRZGKBYIK-RRFJBIMHSA-N. The full InChI is InChI=1S/C20H37F3N4O4Si/c1-17(2,3)30-16(28)27-14(12-29-19(27,7)8)15(31-32(9,10)18(4,5)6)13(11-25-26-24)20(21,22)23/h13-15H,11-12H2,1-10H3/t13-,14+,15+/m0/s1.

What are the key properties of tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 482.62 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R)-4-[(1R,2S)-2-(azidomethyl)-1-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 131742073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).