[4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate

C34H58N2O8Si — CID 174032549

About [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate

[4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 174032549) has the molecular formula C34H58N2O8Si and a molecular weight of 650.93 g/mol. Its IUPAC name is [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

• Compound Name: [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate
• PubChem CID: 174032549
• Molecular Formula: C34H58N2O8Si
• Molecular Weight: 650.93 g/mol
• Exact Mass: 650.40
• IUPAC Name: [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate
• SMILES: Cc1onc(C(=O)OC(C)(C)CCc2onc(C(=O)OC(C)(C)C)c2CCCCCO)c1CCCCCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C34H58N2O8Si/c1-24-25(18-15-13-17-23-40-45(10,11)33(5,6)7)28(35-43-24)31(39)42-34(8,9)21-20-27-26(19-14-12-16-22-37)29(36-44-27)30(38)41-32(2,3)4/h37H,12-23H2,1-11H3
• InChIKey: OIJYECKPABUJAU-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 134.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.93
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate?

The IUPAC name of [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate (CID 174032549) is [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate.

What is the SMILES notation for [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate?

The canonical SMILES for [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate is Cc1onc(C(=O)OC(C)(C)CCc2onc(C(=O)OC(C)(C)C)c2CCCCCO)c1CCCCCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate?

The InChIKey is OIJYECKPABUJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N2O8Si/c1-24-25(18-15-13-17-23-40-45(10,11)33(5,6)7)28(35-43-24)31(39)42-34(8,9)21-20-27-26(19-14-12-16-22-37)29(36-44-27)30(38)41-32(2,3)4/h37H,12-23H2,1-11H3.

What are the key properties of [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate?

[4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 650.93 g/mol, XLogP of 7.93, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(5-hydroxypentyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazol-5-yl]-2-methylbutan-2-yl] 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 174032549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).