3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C23H19Cl2FN4O2 — CID 55491583

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 55491583) has the molecular formula C23H19Cl2FN4O2 and a molecular weight of 473.34 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
• PubChem CID: 55491583
• Molecular Formula: C23H19Cl2FN4O2
• Molecular Weight: 473.34 g/mol
• Exact Mass: 472.09
• IUPAC Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
• SMILES: Cn1ccnc1C(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1
• InChI: InChI=1S/C23H19Cl2FN4O2/c1-30-11-10-27-23(30)22(14-2-5-16(26)6-3-14)29-20(31)8-9-21-28-13-19(32-21)17-7-4-15(24)12-18(17)25/h2-7,10-13,22H,8-9H2,1H3,(H,29,31)
• InChIKey: IXHZJIUKHYTYDV-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.34
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 55491583) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

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

The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is Cn1ccnc1C(NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1.

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

The InChIKey is IXHZJIUKHYTYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN4O2/c1-30-11-10-27-23(30)22(14-2-5-16(26)6-3-14)29-20(31)8-9-21-28-13-19(32-21)17-7-4-15(24)12-18(17)25/h2-7,10-13,22H,8-9H2,1H3,(H,29,31).

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

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 473.34 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 55491583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).