N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide

C26H39N5O4Si — CID 153437220

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 153437220) has the molecular formula C26H39N5O4Si and a molecular weight of 513.72 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
• PubChem CID: 153437220
• Molecular Formula: C26H39N5O4Si
• Molecular Weight: 513.72 g/mol
• Exact Mass: 513.28
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
• SMILES: Cc1oc(CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O
• InChI: InChI=1S/C26H39N5O4Si/c1-19-23(26(5,6)33)29-22(35-19)13-16-30(17-18-34-36(7,8)25(2,3)4)24(32)20-11-9-10-12-21(20)31-27-14-15-28-31/h9-12,14-15,33H,13,16-18H2,1-8H3
• InChIKey: YVFTWBVRCOQTAO-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 106.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.72
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 153437220) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide is Cc1oc(CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)c2ccccc2-n2nccn2)nc1C(C)(C)O.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?

The InChIKey is YVFTWBVRCOQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4Si/c1-19-23(26(5,6)33)29-22(35-19)13-16-30(17-18-34-36(7,8)25(2,3)4)24(32)20-11-9-10-12-21(20)31-27-14-15-28-31/h9-12,14-15,33H,13,16-18H2,1-8H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 513.72 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 153437220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).