1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

C27H24N4O3 — CID 50747767

About 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50747767) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 50747767
• Molecular Formula: C27H24N4O3
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.18
• IUPAC Name: 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(c5ccccc5C)C4)cc3)n2)cc1
• InChI: InChI=1S/C27H24N4O3/c1-17-7-9-19(10-8-17)25-29-27(34-30-25)20-11-13-22(14-12-20)28-26(33)21-15-24(32)31(16-21)23-6-4-3-5-18(23)2/h3-14,21H,15-16H2,1-2H3,(H,28,33)
• InChIKey: GNOSGQDTKYZTJX-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 50747767) is 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(-c2noc(-c3ccc(NC(=O)C4CC(=O)N(c5ccccc5C)C4)cc3)n2)cc1.

What is the InChIKey of 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is GNOSGQDTKYZTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-17-7-9-19(10-8-17)25-29-27(34-30-25)20-11-13-22(14-12-20)28-26(33)21-15-24(32)31(16-21)23-6-4-3-5-18(23)2/h3-14,21H,15-16H2,1-2H3,(H,28,33).

What are the key properties of 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?

1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylphenyl)-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50747767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).