[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone

C24H26ClN3O2 — CID 7288751

About [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone

[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone (PubChem CID 7288751) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone
• PubChem CID: 7288751
• Molecular Formula: C24H26ClN3O2
• Molecular Weight: 423.94 g/mol
• Exact Mass: 423.17
• IUPAC Name: [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone
• SMILES: CCCCCc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)cc1
• InChI: InChI=1S/C24H26ClN3O2/c1-2-3-4-7-17-11-13-18(14-12-17)24(29)28-15-6-10-21(28)23-26-22(27-30-23)19-8-5-9-20(25)16-19/h5,8-9,11-14,16,21H,2-4,6-7,10,15H2,1H3/t21-/m1/s1
• InChIKey: NPUJKSFPSVRRPB-OAQYLSRUSA-N
• XLogP: 6.10
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.94
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone?

The IUPAC name of [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone (CID 7288751) is [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone.

What is the SMILES notation for [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone?

The canonical SMILES for [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone is CCCCCc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)cc1.

What is the InChIKey of [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone?

The InChIKey is NPUJKSFPSVRRPB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-2-3-4-7-17-11-13-18(14-12-17)24(29)28-15-6-10-21(28)23-26-22(27-30-23)19-8-5-9-20(25)16-19/h5,8-9,11-14,16,21H,2-4,6-7,10,15H2,1H3/t21-/m1/s1.

What are the key properties of [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone?

[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone has a molecular weight of 423.94 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-pentylphenyl)methanone is sourced from PubChem (CID 7288751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).