[(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium

C20H38F3N4O4Si+ — CID 153224498

About [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium

[(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium (PubChem CID 153224498) has the molecular formula C20H38F3N4O4Si+ and a molecular weight of 483.63 g/mol. Its IUPAC name is [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium.

Molecular Properties

• Compound Name: [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium
• PubChem CID: 153224498
• Molecular Formula: C20H38F3N4O4Si+
• Molecular Weight: 483.63 g/mol
• Exact Mass: 483.26
• IUPAC Name: [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium
• SMILES: CC(C)(C)OC(=O)N1C([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/C20H38F3N4O4Si/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/h13-15,24H,11-12H2,1-10H3/q+1/t13-,14?,15+/m0/s1
• InChIKey: WOHYPIJXJIXGJJ-ZHDDOTHNSA-N
• XLogP: 5.48
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.63
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', '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 [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium?

The IUPAC name of [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium (CID 153224498) is [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium.

What is the SMILES notation for [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium?

The canonical SMILES for [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium is CC(C)(C)OC(=O)N1C([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 [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium?

The InChIKey is WOHYPIJXJIXGJJ-ZHDDOTHNSA-N. The full InChI is InChI=1S/C20H38F3N4O4Si/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/h13-15,24H,11-12H2,1-10H3/q+1/t13-,14?,15+/m0/s1.

What are the key properties of [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium?

[(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium has a molecular weight of 483.63 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methyl]-3,3,3-trifluoropropyl]imino-iminoazanium is sourced from PubChem (CID 153224498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).