1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide

C20H20ClN5O2 — CID 52992502

About 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide (PubChem CID 52992502) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
• PubChem CID: 52992502
• Molecular Formula: C20H20ClN5O2
• Molecular Weight: 397.87 g/mol
• Exact Mass: 397.13
• IUPAC Name: 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
• SMILES: Cc1cc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)no1
• InChI: InChI=1S/C20H20ClN5O2/c1-13-11-18(25-28-13)22-20(27)15-3-2-10-26(12-15)19-9-8-17(23-24-19)14-4-6-16(21)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,25,27)
• InChIKey: MCSVJWJEYKXCEW-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.87
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide (CID 52992502) is 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)no1.

What is the InChIKey of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

The InChIKey is MCSVJWJEYKXCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-13-11-18(25-28-13)22-20(27)15-3-2-10-26(12-15)19-9-8-17(23-24-19)14-4-6-16(21)7-5-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,25,27).

What are the key properties of 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide?

1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 52992502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).