3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide

C26H20FN5O2 — CID 25033938

About 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide

3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 25033938) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
• PubChem CID: 25033938
• Molecular Formula: C26H20FN5O2
• Molecular Weight: 453.48 g/mol
• Exact Mass: 453.16
• IUPAC Name: 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4C#N)no3)ccc21
• InChI: InChI=1S/C26H20FN5O2/c1-2-32-22-6-4-3-5-20(22)21-14-18(8-10-23(21)32)29-24(33)11-12-25-30-26(31-34-25)19-9-7-17(27)13-16(19)15-28/h3-10,13-14H,2,11-12H2,1H3,(H,29,33)
• InChIKey: NVSKXWGRIBCWNF-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 96.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.48
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?

The IUPAC name of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide (CID 25033938) is 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide.

What is the SMILES notation for 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?

The canonical SMILES for 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4C#N)no3)ccc21.

What is the InChIKey of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?

The InChIKey is NVSKXWGRIBCWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2/c1-2-32-22-6-4-3-5-20(22)21-14-18(8-10-23(21)32)29-24(33)11-12-25-30-26(31-34-25)19-9-7-17(27)13-16(19)15-28/h3-10,13-14H,2,11-12H2,1H3,(H,29,33).

What are the key properties of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide?

3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 453.48 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 25033938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).