4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

C23H24Cl2F3N3O4 — CID 163413146

About 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide (PubChem CID 163413146) has the molecular formula C23H24Cl2F3N3O4 and a molecular weight of 534.36 g/mol. Its IUPAC name is 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
• PubChem CID: 163413146
• Molecular Formula: C23H24Cl2F3N3O4
• Molecular Weight: 534.36 g/mol
• Exact Mass: 533.11
• IUPAC Name: 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
• SMILES: CCN1OCC(NC(=O)c2ccc(C3=NO[C@@](/C(C)=C/C(Cl)=C\CCl)(C(F)(F)F)C3)cc2C)C1=O
• InChI: InChI=1S/C23H24Cl2F3N3O4/c1-4-31-21(33)19(12-34-31)29-20(32)17-6-5-15(9-13(17)2)18-11-22(35-30-18,23(26,27)28)14(3)10-16(25)7-8-24/h5-7,9-10,19H,4,8,11-12H2,1-3H3,(H,29,32)/b14-10+,16-7+/t19?,22-/m0/s1
• InChIKey: ACDODTXSGQTFCT-XURUXARMSA-N
• XLogP: 4.62
• TPSA: 80.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.36
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?

The IUPAC name of 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide (CID 163413146) is 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide.

What is the SMILES notation for 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?

The canonical SMILES for 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide is CCN1OCC(NC(=O)c2ccc(C3=NO[C@@](/C(C)=C/C(Cl)=C\CCl)(C(F)(F)F)C3)cc2C)C1=O.

What is the InChIKey of 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?

The InChIKey is ACDODTXSGQTFCT-XURUXARMSA-N. The full InChI is InChI=1S/C23H24Cl2F3N3O4/c1-4-31-21(33)19(12-34-31)29-20(32)17-6-5-15(9-13(17)2)18-11-22(35-30-18,23(26,27)28)14(3)10-16(25)7-8-24/h5-7,9-10,19H,4,8,11-12H2,1-3H3,(H,29,32)/b14-10+,16-7+/t19?,22-/m0/s1.

What are the key properties of 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide?

4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide has a molecular weight of 534.36 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5S)-5-[(2E,4E)-4,6-dichlorohexa-2,4-dien-2-yl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 163413146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).