1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C25H20ClN3O4 — CID 46378617

About 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 46378617) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• PubChem CID: 46378617
• Molecular Formula: C25H20ClN3O4
• Molecular Weight: 461.91 g/mol
• Exact Mass: 461.11
• IUPAC Name: 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• SMILES: COc1ccc(Oc2ccc(-c3noc(C4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc2)cc1
• InChI: InChI=1S/C25H20ClN3O4/c1-31-20-9-11-22(12-10-20)32-21-7-5-16(6-8-21)24-27-25(33-28-24)17-13-23(30)29(15-17)19-4-2-3-18(26)14-19/h2-12,14,17H,13,15H2,1H3
• InChIKey: OQRRHJRHEGQEJK-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.91
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The IUPAC name of 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 46378617) is 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The canonical SMILES for 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is COc1ccc(Oc2ccc(-c3noc(C4CC(=O)N(c5cccc(Cl)c5)C4)n3)cc2)cc1.

What is the InChIKey of 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The InChIKey is OQRRHJRHEGQEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-31-20-9-11-22(12-10-20)32-21-7-5-16(6-8-21)24-27-25(33-28-24)17-13-23(30)29(15-17)19-4-2-3-18(26)14-19/h2-12,14,17H,13,15H2,1H3.

What are the key properties of 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 461.91 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-4-[3-[4-(4-methoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 46378617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).