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

C32H38FN3O4Si — CID 123168912

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

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide (PubChem CID 123168912) has the molecular formula C32H38FN3O4Si and a molecular weight of 575.76 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide
• PubChem CID: 123168912
• Molecular Formula: C32H38FN3O4Si
• Molecular Weight: 575.76 g/mol
• Exact Mass: 575.26
• IUPAC Name: 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide
• SMILES: CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc3c(C(N)=O)noc3c2CF)CC(C)O1
• InChI: InChI=1S/C32H38FN3O4Si/c1-21-18-36(19-22(2)39-21)29-23(16-26-28(31(34)37)35-40-30(26)27(29)17-33)20-38-41(32(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-16,21-22H,17-20H2,1-5H3,(H2,34,37)
• InChIKey: BHUPAFARXUKIGH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 90.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.76
LogP ≤ 5	5.09
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-(fluoromethyl)-1,2-benzoxazole-3-carboxamide?

The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide (CID 123168912) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide.

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

The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide is CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc3c(C(N)=O)noc3c2CF)CC(C)O1.

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

The InChIKey is BHUPAFARXUKIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FN3O4Si/c1-21-18-36(19-22(2)39-21)29-23(16-26-28(31(34)37)35-40-30(26)27(29)17-33)20-38-41(32(3,4)5,24-12-8-6-9-13-24)25-14-10-7-11-15-25/h6-16,21-22H,17-20H2,1-5H3,(H2,34,37).

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

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(2,6-dimethylmorpholin-4-yl)-7-(fluoromethyl)-1,2-benzoxazole-3-carboxamide has a molecular weight of 575.76 g/mol, XLogP of 5.09, 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-(fluoromethyl)-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 123168912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).