3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide

C22H19ClN4O2 — CID 46975678

About 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46975678) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 46975678
• Molecular Formula: C22H19ClN4O2
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.12
• IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(-c2cc(C)[nH]n2)c1
• InChI: InChI=1S/C22H19ClN4O2/c1-12-8-9-18(16(10-12)19-11-13(2)25-26-19)24-22(28)20-14(3)29-27-21(20)15-6-4-5-7-17(15)23/h4-11H,1-3H3,(H,24,28)(H,25,26)
• InChIKey: YBKWHOPSUZZCPS-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.87
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 46975678) is 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide.

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

The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(-c2cc(C)[nH]n2)c1.

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

The InChIKey is YBKWHOPSUZZCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-12-8-9-18(16(10-12)19-11-13(2)25-26-19)24-22(28)20-14(3)29-27-21(20)15-6-4-5-7-17(15)23/h4-11H,1-3H3,(H,24,28)(H,25,26).

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

3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46975678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).