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

C24H36F3NOSi — CID 134952002

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

3-[(2R,5R)-3-benzyl-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 134952002) has the molecular formula C24H36F3NOSi and a molecular weight of 439.64 g/mol. Its IUPAC name is 3-[(2R,5R)-3-benzyl-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: 3-[(2R,5R)-3-benzyl-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
• PubChem CID: 134952002
• Molecular Formula: C24H36F3NOSi
• Molecular Weight: 439.64 g/mol
• Exact Mass: 439.25
• IUPAC Name: 3-[(2R,5R)-3-benzyl-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C#CC[C@]1(C)CN(Cc2ccccc2)[C@@H](C(F)(F)F)O1)(C(C)C)C(C)C
• InChI: InChI=1S/C24H36F3NOSi/c1-18(2)30(19(3)4,20(5)6)15-11-14-23(7)17-28(22(29-23)24(25,26)27)16-21-12-9-8-10-13-21/h8-10,12-13,18-20,22H,14,16-17H2,1-7H3/t22-,23-/m1/s1
• InChIKey: OVSMKFJIRPBGGM-DHIUTWEWSA-N
• XLogP: 6.78
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.64
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[(2R,5R)-3-benzyl-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane (CID 134952002) is 3-[(2R,5R)-3-benzyl-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane.

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

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

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

The InChIKey is OVSMKFJIRPBGGM-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H36F3NOSi/c1-18(2)30(19(3)4,20(5)6)15-11-14-23(7)17-28(22(29-23)24(25,26)27)16-21-12-9-8-10-13-21/h8-10,12-13,18-20,22H,14,16-17H2,1-7H3/t22-,23-/m1/s1.

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

3-[(2R,5R)-3-benzyl-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 439.64 g/mol, XLogP of 6.78, 6 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-5-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 134952002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).