2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid

C27H20F6N6O6 — CID 53496860

About 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid

2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 53496860) has the molecular formula C27H20F6N6O6 and a molecular weight of 638.48 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 53496860
• Molecular Formula: C27H20F6N6O6
• Molecular Weight: 638.48 g/mol
• Exact Mass: 638.13
• IUPAC Name: 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: Cn1cnc(CNC(=O)C(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H19F3N6O4.C2HF3O2/c1-34-12-17(30-13-34)11-29-23(36)20(35)15-7-9-16(10-8-15)22-31-24(38-33-22)21-18(25(26,27)28)19(32-37-21)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-10,12-13,20,35H,11H2,1H3,(H,29,36);(H,6,7)
• InChIKey: UDJMHTSQCWRVLX-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 169.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.48
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 53496860) is 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is Cn1cnc(CNC(=O)C(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is UDJMHTSQCWRVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O4.C2HF3O2/c1-34-12-17(30-13-34)11-29-23(36)20(35)15-7-9-16(10-8-15)22-31-24(38-33-22)21-18(25(26,27)28)19(32-37-21)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h2-10,12-13,20,35H,11H2,1H3,(H,29,36);(H,6,7).

What are the key properties of 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?

2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 638.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[(1-methylimidazol-4-yl)methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53496860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).