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

C23H21FN4O2 — CID 166191305

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (PubChem CID 166191305) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
• PubChem CID: 166191305
• Molecular Formula: C23H21FN4O2
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.16
• IUPAC Name: N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
• SMILES: O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCc1noc(C2CC2)n1
• InChI: InChI=1S/C23H21FN4O2/c24-16-9-7-14(8-10-16)22-18(17-3-1-2-4-19(17)26-22)11-12-21(29)25-13-20-27-23(30-28-20)15-5-6-15/h1-4,7-10,15,26H,5-6,11-13H2,(H,25,29)
• InChIKey: NMHJYCCDIYBOSB-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 83.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (CID 166191305) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.

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

The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NCc1noc(C2CC2)n1.

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

The InChIKey is NMHJYCCDIYBOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-16-9-7-14(8-10-16)22-18(17-3-1-2-4-19(17)26-22)11-12-21(29)25-13-20-27-23(30-28-20)15-5-6-15/h1-4,7-10,15,26H,5-6,11-13H2,(H,25,29).

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide has a molecular weight of 404.45 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 166191305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).