[3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane

C23H40BrNO3Si2 — CID 91552271

About [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane

[3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 91552271) has the molecular formula C23H40BrNO3Si2 and a molecular weight of 514.65 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 91552271
• Molecular Formula: C23H40BrNO3Si2
• Molecular Weight: 514.65 g/mol
• Exact Mass: 513.17
• IUPAC Name: [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C=C(c2ccc(Br)cc2)NO1
• InChI: InChI=1S/C23H40BrNO3Si2/c1-21(2,3)29(7,8)26-16-23(17-27-30(9,10)22(4,5)6)15-20(25-28-23)18-11-13-19(24)14-12-18/h11-15,25H,16-17H2,1-10H3
• InChIKey: WKVBHRMKOWBKAC-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.65
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
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 [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane (CID 91552271) is [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C=C(c2ccc(Br)cc2)NO1.

What is the InChIKey of [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is WKVBHRMKOWBKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40BrNO3Si2/c1-21(2,3)29(7,8)26-16-23(17-27-30(9,10)22(4,5)6)15-20(25-28-23)18-11-13-19(24)14-12-18/h11-15,25H,16-17H2,1-10H3.

What are the key properties of [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane?

[3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 514.65 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-bromophenyl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91552271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).