N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

C₂₅H₂₅ClN₆O₂ — CID 20931840

About N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931840) has the molecular formula C₂₅H₂₅ClN₆O₂ and a molecular weight of 476.97 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 20931840
• Molecular Formula: C₂₅H₂₅ClN₆O₂
• Molecular Weight: 476.97 g/mol
• Exact Mass: 476.17
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1
• InChI: InChI=1S/C25H25ClN6O2/c1-17-22(16-32(29-17)21-9-7-19(26)8-10-21)23-28-25(34-30-23)24(33)27-20-11-13-31(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,27,33)
• InChIKey: BYWNIBRATPCKOA-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 89.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.97
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (CID 20931840) is N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NC2CCN(Cc3ccccc3)CC2)n1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is BYWNIBRATPCKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-17-22(16-32(29-17)21-9-7-19(26)8-10-21)23-28-25(34-30-23)24(33)27-20-11-13-31(14-12-20)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,27,33).

What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?

N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 476.97 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 20931840 — identifiers, structure, computed properties (public domain)

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