[5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane

C24H27NOSSi — CID 100954886

About [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane

[5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane (PubChem CID 100954886) has the molecular formula C24H27NOSSi and a molecular weight of 405.64 g/mol. Its IUPAC name is [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane
• PubChem CID: 100954886
• Molecular Formula: C24H27NOSSi
• Molecular Weight: 405.64 g/mol
• Exact Mass: 405.16
• IUPAC Name: [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane
• SMILES: C[Si](C)(C)C1=CC=C(Sc2ccccc2)C1C1=N[C@@H](Cc2ccccc2)CO1
• InChI: InChI=1S/C24H27NOSSi/c1-28(2,3)22-15-14-21(27-20-12-8-5-9-13-20)23(22)24-25-19(17-26-24)16-18-10-6-4-7-11-18/h4-15,19,23H,16-17H2,1-3H3/t19-,23?/m0/s1
• InChIKey: IWBFPWYXTIAQHI-HSTJUUNISA-N
• XLogP: 6.14
• TPSA: 21.59 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.64
LogP ≤ 5	6.14
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 [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane?

The IUPAC name of [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane (CID 100954886) is [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane.

What is the SMILES notation for [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane?

The canonical SMILES for [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane is C[Si](C)(C)C1=CC=C(Sc2ccccc2)C1C1=N[C@@H](Cc2ccccc2)CO1.

What is the InChIKey of [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane?

The InChIKey is IWBFPWYXTIAQHI-HSTJUUNISA-N. The full InChI is InChI=1S/C24H27NOSSi/c1-28(2,3)22-15-14-21(27-20-12-8-5-9-13-20)23(22)24-25-19(17-26-24)16-18-10-6-4-7-11-18/h4-15,19,23H,16-17H2,1-3H3/t19-,23?/m0/s1.

What are the key properties of [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane?

[5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane has a molecular weight of 405.64 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 100954886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).