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

C23H22ClN3O3 — CID 24601143

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 24601143) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
• PubChem CID: 24601143
• Molecular Formula: C23H22ClN3O3
• Molecular Weight: 423.90 g/mol
• Exact Mass: 423.13
• IUPAC Name: 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
• SMILES: Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1N1CCCC1=O
• InChI: InChI=1S/C23H22ClN3O3/c1-15-13-16(8-9-19(15)27-12-4-7-23(27)29)26-21(28)10-11-22-25-14-20(30-22)17-5-2-3-6-18(17)24/h2-3,5-6,8-9,13-14H,4,7,10-12H2,1H3,(H,26,28)
• InChIKey: AMUFJPJUHVTDOY-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.90
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 24601143) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

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

The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1N1CCCC1=O.

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

The InChIKey is AMUFJPJUHVTDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-15-13-16(8-9-19(15)27-12-4-7-23(27)29)26-21(28)10-11-22-25-14-20(30-22)17-5-2-3-6-18(17)24/h2-3,5-6,8-9,13-14H,4,7,10-12H2,1H3,(H,26,28).

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

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 423.90 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 24601143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).