3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide

C23H23FN4O2 — CID 47080802

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide (PubChem CID 47080802) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide
• PubChem CID: 47080802
• Molecular Formula: C23H23FN4O2
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.18
• IUPAC Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide
• SMILES: CC(C)Cn1ccc2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc21
• InChI: InChI=1S/C23H23FN4O2/c1-15(2)14-28-12-11-17-13-19(7-8-20(17)28)25-21(29)9-10-22-26-23(27-30-22)16-3-5-18(24)6-4-16/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,29)
• InChIKey: JAOJWHQHAFVRSB-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide (CID 47080802) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide.

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

The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide is CC(C)Cn1ccc2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc21.

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

The InChIKey is JAOJWHQHAFVRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15(2)14-28-12-11-17-13-19(7-8-20(17)28)25-21(29)9-10-22-26-23(27-30-22)16-3-5-18(24)6-4-16/h3-8,11-13,15H,9-10,14H2,1-2H3,(H,25,29).

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide has a molecular weight of 406.46 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide is sourced from PubChem (CID 47080802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).