2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C31H23F3N6O4 — CID 71257735

About 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 71257735) has the molecular formula C31H23F3N6O4 and a molecular weight of 600.56 g/mol. Its IUPAC name is 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• PubChem CID: 71257735
• Molecular Formula: C31H23F3N6O4
• Molecular Weight: 600.56 g/mol
• Exact Mass: 600.17
• IUPAC Name: 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• SMILES: Cc1ccc(-n2cc(CNC(=O)C(O)c3ccc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)cc3)cn2)cc1
• InChI: InChI=1S/C31H23F3N6O4/c1-18-7-13-23(14-8-18)40-17-19(16-36-40)15-35-29(42)26(41)21-9-11-22(12-10-21)28-37-30(44-39-28)27-24(31(32,33)34)25(38-43-27)20-5-3-2-4-6-20/h2-14,16-17,26,41H,15H2,1H3,(H,35,42)
• InChIKey: LYOQXZCTEXWYIA-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 132.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.56
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 71257735) is 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

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

The canonical SMILES for 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is Cc1ccc(-n2cc(CNC(=O)C(O)c3ccc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)cc3)cn2)cc1.

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

The InChIKey is LYOQXZCTEXWYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N6O4/c1-18-7-13-23(14-8-18)40-17-19(16-36-40)15-35-29(42)26(41)21-9-11-22(12-10-21)28-37-30(44-39-28)27-24(31(32,33)34)25(38-43-27)20-5-3-2-4-6-20/h2-14,16-17,26,41H,15H2,1H3,(H,35,42).

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

2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 600.56 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 71257735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).