N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

C24H19Cl2N3O2 — CID 43039303

About N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide

N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 43039303) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
• PubChem CID: 43039303
• Molecular Formula: C24H19Cl2N3O2
• Molecular Weight: 452.34 g/mol
• Exact Mass: 451.09
• IUPAC Name: N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)/N=c1/ccccn1Cc1ccccc1
• InChI: InChI=1S/C24H19Cl2N3O2/c25-18-9-10-19(20(26)14-18)21-15-27-24(31-21)12-11-23(30)28-22-8-4-5-13-29(22)16-17-6-2-1-3-7-17/h1-10,13-15H,11-12,16H2/b28-22-
• InChIKey: WLZNEPPSNGYDCW-SLMZUGIISA-N
• XLogP: 5.56
• 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	452.34
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide (CID 43039303) is N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide.

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

The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)/N=c1/ccccn1Cc1ccccc1.

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

The InChIKey is WLZNEPPSNGYDCW-SLMZUGIISA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c25-18-9-10-19(20(26)14-18)21-15-27-24(31-21)12-11-23(30)28-22-8-4-5-13-29(22)16-17-6-2-1-3-7-17/h1-10,13-15H,11-12,16H2/b28-22-.

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

N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 452.34 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzyl-2-pyridinylidene)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 43039303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).