4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

C24H19F10N3O3 — CID 156504241

About 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (PubChem CID 156504241) has the molecular formula C24H19F10N3O3 and a molecular weight of 587.41 g/mol. Its IUPAC name is 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
• PubChem CID: 156504241
• Molecular Formula: C24H19F10N3O3
• Molecular Weight: 587.41 g/mol
• Exact Mass: 587.13
• IUPAC Name: 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
• SMILES: Cc1cc(C2=NO[C@@](c3cc(C(F)F)cc(C(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F
• InChI: InChI=1S/C24H19F10N3O3/c1-11-4-12(2-3-16(11)21(39)35-9-18(38)36-10-23(29,30)31)17-8-22(40-37-17,24(32,33)34)15-6-13(19(25)26)5-14(7-15)20(27)28/h2-7,19-20H,8-10H2,1H3,(H,35,39)(H,36,38)/t22-/m0/s1
• InChIKey: GWYTYXHCIVQNHZ-QFIPXVFZSA-N
• XLogP: 5.86
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.41
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

The IUPAC name of 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide (CID 156504241) is 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide.

What is the SMILES notation for 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

The canonical SMILES for 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is Cc1cc(C2=NO[C@@](c3cc(C(F)F)cc(C(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F.

What is the InChIKey of 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

The InChIKey is GWYTYXHCIVQNHZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H19F10N3O3/c1-11-4-12(2-3-16(11)21(39)35-9-18(38)36-10-23(29,30)31)17-8-22(40-37-17,24(32,33)34)15-6-13(19(25)26)5-14(7-15)20(27)28/h2-7,19-20H,8-10H2,1H3,(H,35,39)(H,36,38)/t22-/m0/s1.

What are the key properties of 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide?

4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide has a molecular weight of 587.41 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5S)-5-[3,5-bis(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide is sourced from PubChem (CID 156504241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).