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

C35H44FN3O4Si — CID 67358090

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

N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide (PubChem CID 67358090) has the molecular formula C35H44FN3O4Si and a molecular weight of 617.84 g/mol. Its IUPAC name is N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide
• PubChem CID: 67358090
• Molecular Formula: C35H44FN3O4Si
• Molecular Weight: 617.84 g/mol
• Exact Mass: 617.31
• IUPAC Name: N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide
• SMILES: C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc3c(C(=O)NC(C)(C)C)noc3c2F)C[C@H](C)O1
• InChI: InChI=1S/C35H44FN3O4Si/c1-23-20-39(21-24(2)42-23)31-25(19-28-30(33(40)37-34(3,4)5)38-43-32(28)29(31)36)22-41-44(35(6,7)8,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-19,23-24H,20-22H2,1-8H3,(H,37,40)/t23-,24+
• InChIKey: YKUCTSYBBPQRRG-PSWAGMNNSA-N
• XLogP: 6.19
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.84
LogP ≤ 5	6.19
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 N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide?

The IUPAC name of N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide (CID 67358090) is N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide.

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

The canonical SMILES for N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide is C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc3c(C(=O)NC(C)(C)C)noc3c2F)C[C@H](C)O1.

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

The InChIKey is YKUCTSYBBPQRRG-PSWAGMNNSA-N. The full InChI is InChI=1S/C35H44FN3O4Si/c1-23-20-39(21-24(2)42-23)31-25(19-28-30(33(40)37-34(3,4)5)38-43-32(28)29(31)36)22-41-44(35(6,7)8,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-19,23-24H,20-22H2,1-8H3,(H,37,40)/t23-,24+.

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

N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide has a molecular weight of 617.84 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67358090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).