N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide

C26H24FN3O3 — CID 50795617

About N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 50795617) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
• PubChem CID: 50795617
• Molecular Formula: C26H24FN3O3
• Molecular Weight: 445.49 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
• SMILES: CC(C)c1ccc(OCC(=O)NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1
• InChI: InChI=1S/C26H24FN3O3/c1-17(2)18-10-14-22(15-11-18)32-16-23(31)28-24(19-8-12-21(27)13-9-19)26-30-29-25(33-26)20-6-4-3-5-7-20/h3-15,17,24H,16H2,1-2H3,(H,28,31)
• InChIKey: KXECVGSEHTZPPX-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 50795617) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NC(c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)cc1.

What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?

The InChIKey is KXECVGSEHTZPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-17(2)18-10-14-22(15-11-18)32-16-23(31)28-24(19-8-12-21(27)13-9-19)26-30-29-25(33-26)20-6-4-3-5-7-20/h3-15,17,24H,16H2,1-2H3,(H,28,31).

What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide?

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 445.49 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 50795617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).