5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one

C20H27FN6O3Si — CID 18378824

About 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one

5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 18378824) has the molecular formula C20H27FN6O3Si and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
• PubChem CID: 18378824
• Molecular Formula: C20H27FN6O3Si
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.19
• IUPAC Name: 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OCc1cn(-c2ccc(N3CC(CN=[N+]=[N-])OC3=O)cc2F)cn1
• InChI: InChI=1S/C20H27FN6O3Si/c1-20(2,3)31(4,5)29-12-14-10-26(13-23-14)18-7-6-15(8-17(18)21)27-11-16(9-24-25-22)30-19(27)28/h6-8,10,13,16H,9,11-12H2,1-5H3
• InChIKey: CTYSOJMJMQQIHZ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 105.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one (CID 18378824) is 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCc1cn(-c2ccc(N3CC(CN=[N+]=[N-])OC3=O)cc2F)cn1.

What is the InChIKey of 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

The InChIKey is CTYSOJMJMQQIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O3Si/c1-20(2,3)31(4,5)29-12-14-10-26(13-23-14)18-7-6-15(8-17(18)21)27-11-16(9-24-25-22)30-19(27)28/h6-8,10,13,16H,9,11-12H2,1-5H3.

What are the key properties of 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one?

5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 446.56 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(azidomethyl)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18378824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).