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

C24H23ClN4O2 — CID 30175942

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 30175942) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
• PubChem CID: 30175942
• Molecular Formula: C24H23ClN4O2
• Molecular Weight: 434.93 g/mol
• Exact Mass: 434.15
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide
• SMILES: CCc1ccc(Cn2nccc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1
• InChI: InChI=1S/C24H23ClN4O2/c1-2-17-3-5-18(6-4-17)16-29-22(13-14-27-29)28-23(30)11-12-24-26-15-21(31-24)19-7-9-20(25)10-8-19/h3-10,13-15H,2,11-12,16H2,1H3,(H,28,30)
• InChIKey: PONBUKUKWYYKKG-UHFFFAOYSA-N
• XLogP: 5.37
• 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	434.93
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide (CID 30175942) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide.

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

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide is CCc1ccc(Cn2nccc2NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1.

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

The InChIKey is PONBUKUKWYYKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-2-17-3-5-18(6-4-17)16-29-22(13-14-27-29)28-23(30)11-12-24-26-15-21(31-24)19-7-9-20(25)10-8-19/h3-10,13-15H,2,11-12,16H2,1H3,(H,28,30).

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 434.93 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 30175942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).