2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H21F3N4O2 — CID 26842436

About 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 26842436) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 26842436
• Molecular Formula: C23H21F3N4O2
• Molecular Weight: 442.44 g/mol
• Exact Mass: 442.16
• IUPAC Name: 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1
• InChI: InChI=1S/C23H21F3N4O2/c1-14(2)10-21-28-29-22(32-21)19-11-15-6-3-4-9-18(15)30(19)13-20(31)27-17-8-5-7-16(12-17)23(24,25)26/h3-9,11-12,14H,10,13H2,1-2H3,(H,27,31)
• InChIKey: AIYDIOVRYSUTNP-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.44
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 26842436) is 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

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

The canonical SMILES for 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1.

What is the InChIKey of 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is AIYDIOVRYSUTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-14(2)10-21-28-29-22(32-21)19-11-15-6-3-4-9-18(15)30(19)13-20(31)27-17-8-5-7-16(12-17)23(24,25)26/h3-9,11-12,14H,10,13H2,1-2H3,(H,27,31).

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

2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 442.44 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26842436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).