3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide

C20H17ClN6O2 — CID 121020020

About 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 121020020) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 121020020
• Molecular Formula: C20H17ClN6O2
• Molecular Weight: 408.85 g/mol
• Exact Mass: 408.11
• IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2cnccn2)nn1C
• InChI: InChI=1S/C20H17ClN6O2/c1-12-18(19(26-29-12)14-5-3-4-6-15(14)21)20(28)24-10-13-9-16(25-27(13)2)17-11-22-7-8-23-17/h3-9,11H,10H2,1-2H3,(H,24,28)
• InChIKey: NVXYGGYZOCEMRJ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.85
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (CID 121020020) is 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2cnccn2)nn1C.

What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?

The InChIKey is NVXYGGYZOCEMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-12-18(19(26-29-12)14-5-3-4-6-15(14)21)20(28)24-10-13-9-16(25-27(13)2)17-11-22-7-8-23-17/h3-9,11H,10H2,1-2H3,(H,24,28).

What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?

3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 121020020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).