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

C26H19F2N5O2 — CID 72697363

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

3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide (PubChem CID 72697363) has the molecular formula C26H19F2N5O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide
• PubChem CID: 72697363
• Molecular Formula: C26H19F2N5O2
• Molecular Weight: 471.47 g/mol
• Exact Mass: 471.15
• IUPAC Name: 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide
• SMILES: N#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCF)n1
• InChI: InChI=1S/C26H19F2N5O2/c27-11-12-33-22-4-2-1-3-20(22)21-14-18(6-8-23(21)33)30-24(34)9-10-25-31-26(32-35-25)19-7-5-17(28)13-16(19)15-29/h1-8,13-14H,9-12H2,(H,30,34)
• InChIKey: NXZXPZLVPNFNQN-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 96.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.47
LogP ≤ 5	5.40
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-(2-fluoroethyl)carbazol-3-yl]propanamide?

The IUPAC name of 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide (CID 72697363) is 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide.

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

The canonical SMILES for 3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide is N#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCF)n1.

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

The InChIKey is NXZXPZLVPNFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2/c27-11-12-33-22-4-2-1-3-20(22)21-14-18(6-8-23(21)33)30-24(34)9-10-25-31-26(32-35-25)19-7-5-17(28)13-16(19)15-29/h1-8,13-14H,9-12H2,(H,30,34).

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

3-[3-(2-cyano-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide has a molecular weight of 471.47 g/mol, XLogP of 5.40, 7 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-(2-fluoroethyl)carbazol-3-yl]propanamide is sourced from PubChem (CID 72697363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).