5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide

C38H40ClN5O4Si — CID 77272663

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide (PubChem CID 77272663) has the molecular formula C38H40ClN5O4Si and a molecular weight of 694.31 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
• PubChem CID: 77272663
• Molecular Formula: C38H40ClN5O4Si
• Molecular Weight: 694.31 g/mol
• Exact Mass: 693.25
• IUPAC Name: 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
• SMILES: CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc3c(C(=O)NCc4ccc(C#N)cc4)noc3c2Cl)CC(C)O1
• InChI: InChI=1S/C38H40ClN5O4Si/c1-25-22-44(23-26(2)47-25)35-31(24-46-49(38(3,4)5,29-12-8-6-9-13-29)30-14-10-7-11-15-30)42-33-34(43-48-36(33)32(35)39)37(45)41-21-28-18-16-27(20-40)17-19-28/h6-19,25-26H,21-24H2,1-5H3,(H,41,45)
• InChIKey: RKSXMLWXPGYVJX-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 113.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.31
LogP ≤ 5	6.37
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 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?

The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide (CID 77272663) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?

The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide is CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc3c(C(=O)NCc4ccc(C#N)cc4)noc3c2Cl)CC(C)O1.

What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?

The InChIKey is RKSXMLWXPGYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40ClN5O4Si/c1-25-22-44(23-26(2)47-25)35-31(24-46-49(38(3,4)5,29-12-8-6-9-13-29)30-14-10-7-11-15-30)42-33-34(43-48-36(33)32(35)39)37(45)41-21-28-18-16-27(20-40)17-19-28/h6-19,25-26H,21-24H2,1-5H3,(H,41,45).

What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide?

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide has a molecular weight of 694.31 g/mol, XLogP of 6.37, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide is sourced from PubChem (CID 77272663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).