(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin

C25H26F6N2O8S2Sn — CID 16688279

About (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin

(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin (PubChem CID 16688279) has the molecular formula C25H26F6N2O8S2Sn and a molecular weight of 779.32 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin.

Molecular Properties

• Compound Name: (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin
• PubChem CID: 16688279
• Molecular Formula: C25H26F6N2O8S2Sn
• Molecular Weight: 779.32 g/mol
• Exact Mass: 780.01
• IUPAC Name: (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin
• SMILES: CC(C)(C1=N[C@@H](Cc2ccccc2)CO1)C1=N[C@@H](Cc2ccccc2)CO1.O=S(=O)(O[Sn]OS(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C23H26N2O2.2CHF3O3S.Sn/c1-23(2,21-24-19(15-26-21)13-17-9-5-3-6-10-17)22-25-20(16-27-22)14-18-11-7-4-8-12-18;2*2-1(3,4)8(5,6)7;/h3-12,19-20H,13-16H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t19-,20-;;;/m0.../s1
• InChIKey: CNAPHGFLNZKIFR-KEHAGZLWSA-L
• XLogP: 4.35
• TPSA: 129.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	779.32
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin?

The IUPAC name of (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin (CID 16688279) is (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin.

What is the SMILES notation for (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin?

The canonical SMILES for (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin is CC(C)(C1=N[C@@H](Cc2ccccc2)CO1)C1=N[C@@H](Cc2ccccc2)CO1.O=S(=O)(O[Sn]OS(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin?

The InChIKey is CNAPHGFLNZKIFR-KEHAGZLWSA-L. The full InChI is InChI=1S/C23H26N2O2.2CHF3O3S.Sn/c1-23(2,21-24-19(15-26-21)13-17-9-5-3-6-10-17)22-25-20(16-27-22)14-18-11-7-4-8-12-18;2*2-1(3,4)8(5,6)7;/h3-12,19-20H,13-16H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/t19-,20-;;;/m0.../s1.

What are the key properties of (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin?

(4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin has a molecular weight of 779.32 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethylsulfonyloxy)tin is sourced from PubChem (CID 16688279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).