4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide

C20H19N5O2 — CID 26337109

About 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 26337109) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 26337109
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C
• InChI: InChI=1S/C20H19N5O2/c1-12(22-20(26)19-13(2)23-27-24-19)17-11-21-25(14(17)3)18-10-6-8-15-7-4-5-9-16(15)18/h4-12H,1-3H3,(H,22,26)/t12-/m1/s1
• InChIKey: XKHXQGLSFLPUAI-GFCCVEGCSA-N
• XLogP: 3.52
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 26337109) is 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H](C)c1cnn(-c2cccc3ccccc23)c1C.

What is the InChIKey of 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is XKHXQGLSFLPUAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12(22-20(26)19-13(2)23-27-24-19)17-11-21-25(14(17)3)18-10-6-8-15-7-4-5-9-16(15)18/h4-12H,1-3H3,(H,22,26)/t12-/m1/s1.

What are the key properties of 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?

4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(1R)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 26337109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).