N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide

C35H50N2O6SSi — CID 59268006

About N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide

N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide (PubChem CID 59268006) has the molecular formula C35H50N2O6SSi and a molecular weight of 654.95 g/mol. Its IUPAC name is N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide
• PubChem CID: 59268006
• Molecular Formula: C35H50N2O6SSi
• Molecular Weight: 654.95 g/mol
• Exact Mass: 654.32
• IUPAC Name: N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide
• SMILES: COC1CCC(CS(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)no2)CC1
• InChI: InChI=1S/C35H50N2O6SSi/c1-33(2,3)45(28-15-11-9-12-16-28,29-17-13-10-14-18-29)42-25-34(4,5)30-23-31(43-37-30)36-32(38)35(6,7)44(39,40)24-26-19-21-27(41-8)22-20-26/h9-18,23,26-27H,19-22,24-25H2,1-8H3,(H,36,38)
• InChIKey: ABFPMPAOKCRBKX-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 107.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.95
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide?

The IUPAC name of N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide (CID 59268006) is N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide?

The canonical SMILES for N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide is COC1CCC(CS(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)no2)CC1.

What is the InChIKey of N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide?

The InChIKey is ABFPMPAOKCRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N2O6SSi/c1-33(2,3)45(28-15-11-9-12-16-28,29-17-13-10-14-18-29)42-25-34(4,5)30-23-31(43-37-30)36-32(38)35(6,7)44(39,40)24-26-19-21-27(41-8)22-20-26/h9-18,23,26-27H,19-22,24-25H2,1-8H3,(H,36,38).

What are the key properties of N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide?

N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide has a molecular weight of 654.95 g/mol, XLogP of 5.87, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-[(4-methoxycyclohexyl)methylsulfonyl]-2-methylpropanamide is sourced from PubChem (CID 59268006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).