1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one

C36H38N6O4 — CID 123839232

About 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one

1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one (PubChem CID 123839232) has the molecular formula C36H38N6O4 and a molecular weight of 618.74 g/mol. Its IUPAC name is 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one
• PubChem CID: 123839232
• Molecular Formula: C36H38N6O4
• Molecular Weight: 618.74 g/mol
• Exact Mass: 618.30
• IUPAC Name: 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one
• SMILES: Cc1noc(-c2ccc(Oc3cc(-c4nnc(C5CCN(C(C)C)CC5)o4)ccc3CN3CC(c4ccccc4)CC3=O)cc2)n1
• InChI: InChI=1S/C36H38N6O4/c1-23(2)41-17-15-27(16-18-41)35-38-39-36(45-35)28-9-10-29(21-42-22-30(20-33(42)43)25-7-5-4-6-8-25)32(19-28)44-31-13-11-26(12-14-31)34-37-24(3)40-46-34/h4-14,19,23,27,30H,15-18,20-22H2,1-3H3
• InChIKey: JSQIHIRBYJJBIM-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 110.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.74
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one?

The IUPAC name of 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one (CID 123839232) is 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one.

What is the SMILES notation for 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one?

The canonical SMILES for 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one is Cc1noc(-c2ccc(Oc3cc(-c4nnc(C5CCN(C(C)C)CC5)o4)ccc3CN3CC(c4ccccc4)CC3=O)cc2)n1.

What is the InChIKey of 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one?

The InChIKey is JSQIHIRBYJJBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N6O4/c1-23(2)41-17-15-27(16-18-41)35-38-39-36(45-35)28-9-10-29(21-42-22-30(20-33(42)43)25-7-5-4-6-8-25)32(19-28)44-31-13-11-26(12-14-31)34-37-24(3)40-46-34/h4-14,19,23,27,30H,15-18,20-22H2,1-3H3.

What are the key properties of 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one?

1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one has a molecular weight of 618.74 g/mol, XLogP of 6.99, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 123839232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).