tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane

C27H33NO2Si — CID 21477518

About tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane

tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane (PubChem CID 21477518) has the molecular formula C27H33NO2Si and a molecular weight of 431.65 g/mol. Its IUPAC name is tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane
• PubChem CID: 21477518
• Molecular Formula: C27H33NO2Si
• Molecular Weight: 431.65 g/mol
• Exact Mass: 431.23
• IUPAC Name: tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane
• SMILES: CC1(C)COC(c2ccc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)cc2)=N1
• InChI: InChI=1S/C27H33NO2Si/c1-26(2,3)31(6,7)30-24-15-14-22-16-21(12-13-23(22)17-24)19-8-10-20(11-9-19)25-28-27(4,5)18-29-25/h8-17H,18H2,1-7H3
• InChIKey: LCBDDFQBOVUWFO-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 30.82 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.65
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane (CID 21477518) is tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane is CC1(C)COC(c2ccc(-c3ccc4cc(O[Si](C)(C)C(C)(C)C)ccc4c3)cc2)=N1.

What is the InChIKey of tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane?

The InChIKey is LCBDDFQBOVUWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO2Si/c1-26(2,3)31(6,7)30-24-15-14-22-16-21(12-13-23(22)17-24)19-8-10-20(11-9-19)25-28-27(4,5)18-29-25/h8-17H,18H2,1-7H3.

What are the key properties of tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane?

tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane has a molecular weight of 431.65 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 21477518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).