3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane

C23H36F3NOSi — CID 122219645

About 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane

3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane (PubChem CID 122219645) has the molecular formula C23H36F3NOSi and a molecular weight of 427.63 g/mol. Its IUPAC name is 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane
• PubChem CID: 122219645
• Molecular Formula: C23H36F3NOSi
• Molecular Weight: 427.63 g/mol
• Exact Mass: 427.25
• IUPAC Name: 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane
• SMILES: C=C(C[C@@H]1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1)[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C23H36F3NOSi/c1-16(2)29(17(3)4,18(5)6)19(7)13-21-15-27(22(28-21)23(24,25)26)14-20-11-9-8-10-12-20/h8-12,16-18,21-22H,7,13-15H2,1-6H3/t21-,22-/m1/s1
• InChIKey: BFSKRDTXKWMFCM-FGZHOGPDSA-N
• XLogP: 6.94
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.63
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane?

The IUPAC name of 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane (CID 122219645) is 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane.

What is the SMILES notation for 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane?

The canonical SMILES for 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane is C=C(C[C@@H]1CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1)[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane?

The InChIKey is BFSKRDTXKWMFCM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H36F3NOSi/c1-16(2)29(17(3)4,18(5)6)19(7)13-21-15-27(22(28-21)23(24,25)26)14-20-11-9-8-10-12-20/h8-12,16-18,21-22H,7,13-15H2,1-6H3/t21-,22-/m1/s1.

What are the key properties of 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane?

3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane has a molecular weight of 427.63 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R,5R)-3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-en-2-yl-tri(propan-2-yl)silane is sourced from PubChem (CID 122219645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).