5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one

C32H49N5O5Si2 — CID 91581648

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one (PubChem CID 91581648) has the molecular formula C32H49N5O5Si2 and a molecular weight of 639.95 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one.

Molecular Properties

• Compound Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
• PubChem CID: 91581648
• Molecular Formula: C32H49N5O5Si2
• Molecular Weight: 639.95 g/mol
• Exact Mass: 639.33
• IUPAC Name: 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one
• SMILES: Cc1noc(C)c1Cn1cc(-n2c(O)c(CO[Si](C)(C)C(C)(C)C)n(Cc3cccc(O[Si](C)(C)C(C)(C)C)c3)c2=O)cn1
• InChI: InChI=1S/C32H49N5O5Si2/c1-22-27(23(2)41-34-22)20-35-19-25(17-33-35)37-29(38)28(21-40-43(9,10)31(3,4)5)36(30(37)39)18-24-14-13-15-26(16-24)42-44(11,12)32(6,7)8/h13-17,19,38H,18,20-21H2,1-12H3
• InChIKey: FAQGURKXQHKWDL-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 109.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.95
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one?

The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one (CID 91581648) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one.

What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one?

The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one is Cc1noc(C)c1Cn1cc(-n2c(O)c(CO[Si](C)(C)C(C)(C)C)n(Cc3cccc(O[Si](C)(C)C(C)(C)C)c3)c2=O)cn1.

What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one?

The InChIKey is FAQGURKXQHKWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N5O5Si2/c1-22-27(23(2)41-34-22)20-35-19-25(17-33-35)37-29(38)28(21-40-43(9,10)31(3,4)5)36(30(37)39)18-24-14-13-15-26(16-24)42-44(11,12)32(6,7)8/h13-17,19,38H,18,20-21H2,1-12H3.

What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one?

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one has a molecular weight of 639.95 g/mol, XLogP of 7.15, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-hydroxyimidazol-2-one is sourced from PubChem (CID 91581648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).