N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

C22H21ClN4O3 — CID 53206165

About N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide

N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 53206165) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
• PubChem CID: 53206165
• Molecular Formula: C22H21ClN4O3
• Molecular Weight: 424.89 g/mol
• Exact Mass: 424.13
• IUPAC Name: N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
• SMILES: CC(NC(=O)c1ccccc1)C(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1
• InChI: InChI=1S/C22H21ClN4O3/c1-14(24-20(28)15-7-3-2-4-8-15)22(29)27-12-6-11-18(27)21-25-19(26-30-21)16-9-5-10-17(23)13-16/h2-5,7-10,13-14,18H,6,11-12H2,1H3,(H,24,28)
• InChIKey: DFHDPBFLMJRPFH-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.89
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?

The IUPAC name of N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 53206165) is N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide.

What is the SMILES notation for N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?

The canonical SMILES for N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N1CCCC1c1nc(-c2cccc(Cl)c2)no1.

What is the InChIKey of N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?

The InChIKey is DFHDPBFLMJRPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-14(24-20(28)15-7-3-2-4-8-15)22(29)27-12-6-11-18(27)21-25-19(26-30-21)16-9-5-10-17(23)13-16/h2-5,7-10,13-14,18H,6,11-12H2,1H3,(H,24,28).

What are the key properties of N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide?

N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 424.89 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 53206165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).