3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide

C23H28N6O2 — CID 42195341

About 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide (PubChem CID 42195341) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide
• PubChem CID: 42195341
• Molecular Formula: C23H28N6O2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.23
• IUPAC Name: 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide
• SMILES: CC(C)N(Cc1nccn1C)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1
• InChI: InChI=1S/C23H28N6O2/c1-16(2)29(15-20-24-12-13-28(20)3)23(30)11-10-22-27-26-21(31-22)9-8-17-14-25-19-7-5-4-6-18(17)19/h4-7,12-14,16,25H,8-11,15H2,1-3H3
• InChIKey: FOAXSXXRIWCDBI-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 92.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide (CID 42195341) is 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide.

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

The canonical SMILES for 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide is CC(C)N(Cc1nccn1C)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1.

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

The InChIKey is FOAXSXXRIWCDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16(2)29(15-20-24-12-13-28(20)3)23(30)11-10-22-27-26-21(31-22)9-8-17-14-25-19-7-5-4-6-18(17)19/h4-7,12-14,16,25H,8-11,15H2,1-3H3.

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

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 420.52 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 42195341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).