1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C20H22FN5O2 — CID 126778598

About 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 126778598) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
• PubChem CID: 126778598
• Molecular Formula: C20H22FN5O2
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.18
• IUPAC Name: 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
• SMILES: Cc1cc(NC(=O)C2CCN(Cc3ccn(-c4ccc(F)cc4)n3)CC2)no1
• InChI: InChI=1S/C20H22FN5O2/c1-14-12-19(24-28-14)22-20(27)15-6-9-25(10-7-15)13-17-8-11-26(23-17)18-4-2-16(21)3-5-18/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,22,24,27)
• InChIKey: ATQBHFSUMFVGCD-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 126778598) is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(Cc3ccn(-c4ccc(F)cc4)n3)CC2)no1.

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

The InChIKey is ATQBHFSUMFVGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-14-12-19(24-28-14)22-20(27)15-6-9-25(10-7-15)13-17-8-11-26(23-17)18-4-2-16(21)3-5-18/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,22,24,27).

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

1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 126778598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).