3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

C23H20Cl2N4O2 — CID 30102896

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (PubChem CID 30102896) has the molecular formula C23H20Cl2N4O2 and a molecular weight of 455.35 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
• PubChem CID: 30102896
• Molecular Formula: C23H20Cl2N4O2
• Molecular Weight: 455.35 g/mol
• Exact Mass: 454.10
• IUPAC Name: 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C23H20Cl2N4O2/c24-17-4-7-19(20(25)14-17)21-15-27-23(31-21)9-8-22(30)26-12-10-16-2-5-18(6-3-16)29-13-1-11-28-29/h1-7,11,13-15H,8-10,12H2,(H,26,30)
• InChIKey: GNRSSPKUPYVIHE-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.35
LogP ≤ 5	5.13
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-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide?

The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide (CID 30102896) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide.

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

The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCCc1ccc(-n2cccn2)cc1.

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

The InChIKey is GNRSSPKUPYVIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O2/c24-17-4-7-19(20(25)14-17)21-15-27-23(31-21)9-8-22(30)26-12-10-16-2-5-18(6-3-16)29-13-1-11-28-29/h1-7,11,13-15H,8-10,12H2,(H,26,30).

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

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 455.35 g/mol, XLogP of 5.13, 8 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-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 30102896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).