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

C31H23F3N6O4 — CID 71257552

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

N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 71257552) has the molecular formula C31H23F3N6O4 and a molecular weight of 600.56 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• PubChem CID: 71257552
• Molecular Formula: C31H23F3N6O4
• Molecular Weight: 600.56 g/mol
• Exact Mass: 600.17
• IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• SMILES: O=C(NCc1cnn(Cc2ccccc2)c1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
• InChI: InChI=1S/C31H23F3N6O4/c32-31(33,34)24-25(21-9-5-2-6-10-21)38-43-27(24)30-37-28(39-44-30)23-13-11-22(12-14-23)26(41)29(42)35-15-20-16-36-40(18-20)17-19-7-3-1-4-8-19/h1-14,16,18,26,41H,15,17H2,(H,35,42)
• InChIKey: LHGRTJHPBBXZPH-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 132.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.56
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 71257552) is N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-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 N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is O=C(NCc1cnn(Cc2ccccc2)c1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.

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

The InChIKey is LHGRTJHPBBXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N6O4/c32-31(33,34)24-25(21-9-5-2-6-10-21)38-43-27(24)30-37-28(39-44-30)23-13-11-22(12-14-23)26(41)29(42)35-15-20-16-36-40(18-20)17-19-7-3-1-4-8-19/h1-14,16,18,26,41H,15,17H2,(H,35,42).

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

N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-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 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzylpyrazol-4-yl)methyl]-2-hydroxy-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 71257552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).