2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid

C23H17ClN4O7 — CID 24776293

About 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid

2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid (PubChem CID 24776293) has the molecular formula C23H17ClN4O7 and a molecular weight of 496.86 g/mol. Its IUPAC name is 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid
• PubChem CID: 24776293
• Molecular Formula: C23H17ClN4O7
• Molecular Weight: 496.86 g/mol
• Exact Mass: 496.08
• IUPAC Name: 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid
• SMILES: COc1ccc(-c2nc(CN3C(=O)CC4(C3=O)C(=O)N(CC(=O)O)c3ccc(Cl)cc34)no2)cc1
• InChI: InChI=1S/C23H17ClN4O7/c1-34-14-5-2-12(3-6-14)20-25-17(26-35-20)10-28-18(29)9-23(22(28)33)15-8-13(24)4-7-16(15)27(21(23)32)11-19(30)31/h2-8H,9-11H2,1H3,(H,30,31)
• InChIKey: FNJGDJONLJMSIZ-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 143.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.86
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid?

The IUPAC name of 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid (CID 24776293) is 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid.

What is the SMILES notation for 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid?

The canonical SMILES for 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid is COc1ccc(-c2nc(CN3C(=O)CC4(C3=O)C(=O)N(CC(=O)O)c3ccc(Cl)cc34)no2)cc1.

What is the InChIKey of 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid?

The InChIKey is FNJGDJONLJMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O7/c1-34-14-5-2-12(3-6-14)20-25-17(26-35-20)10-28-18(29)9-23(22(28)33)15-8-13(24)4-7-16(15)27(21(23)32)11-19(30)31/h2-8H,9-11H2,1H3,(H,30,31).

What are the key properties of 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid?

2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid has a molecular weight of 496.86 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-1'-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid is sourced from PubChem (CID 24776293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).