N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C26H23FN4O2 — CID 72697361

About N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 72697361) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 72697361
• Molecular Formula: C26H23FN4O2
• Molecular Weight: 442.49 g/mol
• Exact Mass: 442.18
• IUPAC Name: N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)c3ccccc3n4CCF)n2)cc1
• InChI: InChI=1S/C26H23FN4O2/c1-17-6-8-18(9-7-17)26-29-25(33-30-26)13-12-24(32)28-19-10-11-23-21(16-19)20-4-2-3-5-22(20)31(23)15-14-27/h2-11,16H,12-15H2,1H3,(H,28,32)
• InChIKey: YPJRLOYWRJSRIU-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.49
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 72697361) is N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)c3ccccc3n4CCF)n2)cc1.

What is the InChIKey of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is YPJRLOYWRJSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-17-6-8-18(9-7-17)26-29-25(33-30-26)13-12-24(32)28-19-10-11-23-21(16-19)20-4-2-3-5-22(20)31(23)15-14-27/h2-11,16H,12-15H2,1H3,(H,28,32).

What are the key properties of N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 442.49 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-(2-fluoroethyl)carbazol-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 72697361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).