2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde

C24H15F9N2O3S — CID 11512623

About 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde

2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 11512623) has the molecular formula C24H15F9N2O3S and a molecular weight of 582.44 g/mol. Its IUPAC name is 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde
• PubChem CID: 11512623
• Molecular Formula: C24H15F9N2O3S
• Molecular Weight: 582.44 g/mol
• Exact Mass: 582.07
• IUPAC Name: 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde
• SMILES: C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1nc(C=O)cs1
• InChI: InChI=1S/C24H15F9N2O3S/c1-11-19(12-4-15(23(28,29)30)7-16(5-12)24(31,32)33)38-21(37)35(11)8-13-6-14(22(25,26)27)2-3-18(13)20-34-17(9-36)10-39-20/h2-7,9-11,19H,8H2,1H3/t11-,19-/m0/s1
• InChIKey: RQIUBJVFMWSMMK-WLRWDXFRSA-N
• XLogP: 7.76
• TPSA: 59.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.44
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde?

The IUPAC name of 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde (CID 11512623) is 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde.

What is the SMILES notation for 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde?

The canonical SMILES for 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde is C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1nc(C=O)cs1.

What is the InChIKey of 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde?

The InChIKey is RQIUBJVFMWSMMK-WLRWDXFRSA-N. The full InChI is InChI=1S/C24H15F9N2O3S/c1-11-19(12-4-15(23(28,29)30)7-16(5-12)24(31,32)33)38-21(37)35(11)8-13-6-14(22(25,26)27)2-3-18(13)20-34-17(9-36)10-39-20/h2-7,9-11,19H,8H2,1H3/t11-,19-/m0/s1.

What are the key properties of 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde?

2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 582.44 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 11512623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).