N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide

C30H31N5O2 — CID 139755550

About N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide (PubChem CID 139755550) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide
• PubChem CID: 139755550
• Molecular Formula: C30H31N5O2
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.25
• IUPAC Name: N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide
• SMILES: Cc1nc(-c2ccc(-c3ccc(CC(=O)Nc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)c(C)c2)no1
• InChI: InChI=1S/C30H31N5O2/c1-19-15-23(30-32-20(2)37-34-30)9-11-26(19)22-7-5-21(6-8-22)16-29(36)33-25-10-12-28-27(17-25)24(18-31-28)13-14-35(3)4/h5-12,15,17-18,31H,13-14,16H2,1-4H3,(H,33,36)
• InChIKey: XFOSPSKQJDBKJC-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide?

The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide (CID 139755550) is N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide.

What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide?

The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide is Cc1nc(-c2ccc(-c3ccc(CC(=O)Nc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)c(C)c2)no1.

What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide?

The InChIKey is XFOSPSKQJDBKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-19-15-23(30-32-20(2)37-34-30)9-11-26(19)22-7-5-21(6-8-22)16-29(36)33-25-10-12-28-27(17-25)24(18-31-28)13-14-35(3)4/h5-12,15,17-18,31H,13-14,16H2,1-4H3,(H,33,36).

What are the key properties of N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide?

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide has a molecular weight of 493.61 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 139755550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).