tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane

C28H33NO2SSi — CID 15547942

About tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane

tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane (PubChem CID 15547942) has the molecular formula C28H33NO2SSi and a molecular weight of 475.73 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane
• PubChem CID: 15547942
• Molecular Formula: C28H33NO2SSi
• Molecular Weight: 475.73 g/mol
• Exact Mass: 475.20
• IUPAC Name: tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1N=C(c2ccccc2Sc2ccccc2)O[C@H]1c1ccccc1
• InChI: InChI=1S/C28H33NO2SSi/c1-28(2,3)33(4,5)30-20-24-26(21-14-8-6-9-15-21)31-27(29-24)23-18-12-13-19-25(23)32-22-16-10-7-11-17-22/h6-19,24,26H,20H2,1-5H3/t24-,26-/m0/s1
• InChIKey: DLRFTHVNJIRNIU-AHWVRZQESA-N
• XLogP: 7.75
• TPSA: 30.82 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.73
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane (CID 15547942) is tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@@H]1N=C(c2ccccc2Sc2ccccc2)O[C@H]1c1ccccc1.

What is the InChIKey of tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane?

The InChIKey is DLRFTHVNJIRNIU-AHWVRZQESA-N. The full InChI is InChI=1S/C28H33NO2SSi/c1-28(2,3)33(4,5)30-20-24-26(21-14-8-6-9-15-21)31-27(29-24)23-18-12-13-19-25(23)32-22-16-10-7-11-17-22/h6-19,24,26H,20H2,1-5H3/t24-,26-/m0/s1.

What are the key properties of tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane?

tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane has a molecular weight of 475.73 g/mol, XLogP of 7.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[(4S,5S)-5-phenyl-2-(2-phenylsulfanylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methoxy]silane is sourced from PubChem (CID 15547942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).