5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide

C34H42FN3O4Si — CID 77291293

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide (PubChem CID 77291293) has the molecular formula C34H42FN3O4Si and a molecular weight of 603.81 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide
• PubChem CID: 77291293
• Molecular Formula: C34H42FN3O4Si
• Molecular Weight: 603.81 g/mol
• Exact Mass: 603.29
• IUPAC Name: 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide
• SMILES: CC(C)NC(=O)c1noc2c(F)c(N3CC(C)OC(C)C3)c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc12
• InChI: InChI=1S/C34H42FN3O4Si/c1-22(2)36-33(39)30-28-18-25(31(29(35)32(28)42-37-30)38-19-23(3)41-24(4)20-38)21-40-43(34(5,6)7,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-18,22-24H,19-21H2,1-7H3,(H,36,39)
• InChIKey: APTQFSPTAWPWLS-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.81
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide?

The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide (CID 77291293) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide.

What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide?

The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide is CC(C)NC(=O)c1noc2c(F)c(N3CC(C)OC(C)C3)c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc12.

What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide?

The InChIKey is APTQFSPTAWPWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42FN3O4Si/c1-22(2)36-33(39)30-28-18-25(31(29(35)32(28)42-37-30)38-19-23(3)41-24(4)20-38)21-40-43(34(5,6)7,26-14-10-8-11-15-26)27-16-12-9-13-17-27/h8-18,22-24H,19-21H2,1-7H3,(H,36,39).

What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide?

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide has a molecular weight of 603.81 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-N-propan-2-yl-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 77291293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).