N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid

C24H26F3N5O4 — CID 167991794

About N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid

N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 167991794) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 167991794
• Molecular Formula: C24H26F3N5O4
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.19
• IUPAC Name: N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(NC(=O)Cc2noc(C3CCN(c4ccncc4C)CC3)n2)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H25N5O2.C2HF3O2/c1-15-4-3-5-18(12-15)24-21(28)13-20-25-22(29-26-20)17-7-10-27(11-8-17)19-6-9-23-14-16(19)2;3-2(4,5)1(6)7/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H,24,28);(H,6,7)
• InChIKey: SNGFPPUYGCPORR-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 121.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid (CID 167991794) is N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid is Cc1cccc(NC(=O)Cc2noc(C3CCN(c4ccncc4C)CC3)n2)c1.O=C(O)C(F)(F)F.

What is the InChIKey of N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is SNGFPPUYGCPORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C2HF3O2/c1-15-4-3-5-18(12-15)24-21(28)13-20-25-22(29-26-20)17-7-10-27(11-8-17)19-6-9-23-14-16(19)2;3-2(4,5)1(6)7/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H,24,28);(H,6,7).

What are the key properties of N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid?

N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 505.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-2-[5-[1-(3-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167991794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).