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

C26H21F3N6O4 — CID 67453830

About N-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-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 67453830) has the molecular formula C26H21F3N6O4 and a molecular weight of 538.49 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-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: 67453830
• Molecular Formula: C26H21F3N6O4
• Molecular Weight: 538.49 g/mol
• Exact Mass: 538.16
• IUPAC Name: N-[(2-ethylpyrazol-3-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: CCn1nccc1CNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
• InChI: InChI=1S/C26H21F3N6O4/c1-2-35-18(12-13-31-35)14-30-24(37)21(36)16-8-10-17(11-9-16)23-32-25(39-34-23)22-19(26(27,28)29)20(33-38-22)15-6-4-3-5-7-15/h3-13,21,36H,2,14H2,1H3,(H,30,37)
• InChIKey: KEEQXGPZTHRZGZ-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 132.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.49
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-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 67453830) is N-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-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 CCn1nccc1CNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.

What is the InChIKey of N-[(2-ethylpyrazol-3-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 KEEQXGPZTHRZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O4/c1-2-35-18(12-13-31-35)14-30-24(37)21(36)16-8-10-17(11-9-16)23-32-25(39-34-23)22-19(26(27,28)29)20(33-38-22)15-6-4-3-5-7-15/h3-13,21,36H,2,14H2,1H3,(H,30,37).

What are the key properties of N-[(2-ethylpyrazol-3-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-[(2-ethylpyrazol-3-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 538.49 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethylpyrazol-3-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 67453830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).