4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide

C23H19Cl2F6N3O4 — CID 129167475

About 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide

4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide (PubChem CID 129167475) has the molecular formula C23H19Cl2F6N3O4 and a molecular weight of 586.32 g/mol. Its IUPAC name is 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide
• PubChem CID: 129167475
• Molecular Formula: C23H19Cl2F6N3O4
• Molecular Weight: 586.32 g/mol
• Exact Mass: 585.07
• IUPAC Name: 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide
• SMILES: Cc1cc(C2=NO[C@@](C3C=C(Cl)C=C(Cl)C3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC(F)(F)F)C1=O
• InChI: InChI=1S/C23H19Cl2F6N3O4/c1-11-4-12(2-3-16(11)19(35)32-18-9-37-34(20(18)36)10-22(26,27)28)17-8-21(38-33-17,23(29,30)31)13-5-14(24)7-15(25)6-13/h2-5,7,13,18H,6,8-10H2,1H3,(H,32,35)/t13?,18-,21+/m1/s1
• InChIKey: LHMOXQYDLFYNTB-CTJJFZBBSA-N
• XLogP: 5.12
• TPSA: 80.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.32
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

The IUPAC name of 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide (CID 129167475) is 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide.

What is the SMILES notation for 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

The canonical SMILES for 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide is Cc1cc(C2=NO[C@@](C3C=C(Cl)C=C(Cl)C3)(C(F)(F)F)C2)ccc1C(=O)N[C@@H]1CON(CC(F)(F)F)C1=O.

What is the InChIKey of 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

The InChIKey is LHMOXQYDLFYNTB-CTJJFZBBSA-N. The full InChI is InChI=1S/C23H19Cl2F6N3O4/c1-11-4-12(2-3-16(11)19(35)32-18-9-37-34(20(18)36)10-22(26,27)28)17-8-21(38-33-17,23(29,30)31)13-5-14(24)7-15(25)6-13/h2-5,7,13,18H,6,8-10H2,1H3,(H,32,35)/t13?,18-,21+/m1/s1.

What are the key properties of 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide?

4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide has a molecular weight of 586.32 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5S)-5-(3,5-dichlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[(4R)-3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]benzamide is sourced from PubChem (CID 129167475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).