3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide

C25H22ClN3O2 — CID 134012253

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide (PubChem CID 134012253) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide
• PubChem CID: 134012253
• Molecular Formula: C25H22ClN3O2
• Molecular Weight: 431.92 g/mol
• Exact Mass: 431.14
• IUPAC Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide
• SMILES: Cc1ccc(Cn2cccc/c2=N\C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1
• InChI: InChI=1S/C25H22ClN3O2/c1-18-9-11-19(12-10-18)17-29-15-5-4-8-23(29)28-24(30)13-14-25-27-16-22(31-25)20-6-2-3-7-21(20)26/h2-12,15-16H,13-14,17H2,1H3/b28-23+
• InChIKey: LDJVEEMMAXZFTF-WEMUOSSPSA-N
• XLogP: 5.21
• TPSA: 60.39 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.92
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?

The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide (CID 134012253) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide.

What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?

The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide is Cc1ccc(Cn2cccc/c2=N\C(=O)CCc2ncc(-c3ccccc3Cl)o2)cc1.

What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?

The InChIKey is LDJVEEMMAXZFTF-WEMUOSSPSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c1-18-9-11-19(12-10-18)17-29-15-5-4-8-23(29)28-24(30)13-14-25-27-16-22(31-25)20-6-2-3-7-21(20)26/h2-12,15-16H,13-14,17H2,1H3/b28-23+.

What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide?

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide has a molecular weight of 431.92 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]propanamide is sourced from PubChem (CID 134012253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).