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

C22H17Cl3N4O2 — CID 16601738

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide (PubChem CID 16601738) has the molecular formula C22H17Cl3N4O2 and a molecular weight of 475.76 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
• PubChem CID: 16601738
• Molecular Formula: C22H17Cl3N4O2
• Molecular Weight: 475.76 g/mol
• Exact Mass: 474.04
• IUPAC Name: 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
• SMILES: O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccnn1Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C22H17Cl3N4O2/c23-16-4-1-14(2-5-16)19-12-26-22(31-19)8-7-21(30)28-20-9-10-27-29(20)13-15-3-6-17(24)11-18(15)25/h1-6,9-12H,7-8,13H2,(H,28,30)
• InChIKey: WAJXZGBWWPZLNC-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.76
LogP ≤ 5	6.12
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-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide?

The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide (CID 16601738) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide.

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

The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccnn1Cc1ccc(Cl)cc1Cl.

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

The InChIKey is WAJXZGBWWPZLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N4O2/c23-16-4-1-14(2-5-16)19-12-26-22(31-19)8-7-21(30)28-20-9-10-27-29(20)13-15-3-6-17(24)11-18(15)25/h1-6,9-12H,7-8,13H2,(H,28,30).

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide has a molecular weight of 475.76 g/mol, XLogP of 6.12, 7 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-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 16601738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).