N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C27H33N5O3Si — CID 58120088

About N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 58120088) has the molecular formula C27H33N5O3Si and a molecular weight of 503.68 g/mol. Its IUPAC name is N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 58120088
• Molecular Formula: C27H33N5O3Si
• Molecular Weight: 503.68 g/mol
• Exact Mass: 503.24
• IUPAC Name: N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccc(-c2nc(C(=O)NCc3cn(Cc4cccc(O[Si](C)(C)C(C)(C)C)c4)nn3)co2)cc1
• InChI: InChI=1S/C27H33N5O3Si/c1-19-10-12-21(13-11-19)26-29-24(18-34-26)25(33)28-15-22-17-32(31-30-22)16-20-8-7-9-23(14-20)35-36(5,6)27(2,3)4/h7-14,17-18H,15-16H2,1-6H3,(H,28,33)
• InChIKey: QOFSXORJHTZDGI-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 95.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.68
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 58120088) is N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3cn(Cc4cccc(O[Si](C)(C)C(C)(C)C)c4)nn3)co2)cc1.

What is the InChIKey of N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?

The InChIKey is QOFSXORJHTZDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3Si/c1-19-10-12-21(13-11-19)26-29-24(18-34-26)25(33)28-15-22-17-32(31-30-22)16-20-8-7-9-23(14-20)35-36(5,6)27(2,3)4/h7-14,17-18H,15-16H2,1-6H3,(H,28,33).

What are the key properties of N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?

N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 503.68 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]triazol-4-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58120088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).