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

C25H19BrF2N4O2 — CID 72697362

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

3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide (PubChem CID 72697362) has the molecular formula C25H19BrF2N4O2 and a molecular weight of 525.35 g/mol. Its IUPAC name is 3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide
• PubChem CID: 72697362
• Molecular Formula: C25H19BrF2N4O2
• Molecular Weight: 525.35 g/mol
• Exact Mass: 524.07
• IUPAC Name: 3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide
• SMILES: O=C(CCc1nc(-c2ccc(Br)cc2F)no1)Nc1ccc2c(c1)c1ccccc1n2CCF
• InChI: InChI=1S/C25H19BrF2N4O2/c26-15-5-7-18(20(28)13-15)25-30-24(34-31-25)10-9-23(33)29-16-6-8-22-19(14-16)17-3-1-2-4-21(17)32(22)12-11-27/h1-8,13-14H,9-12H2,(H,29,33)
• InChIKey: WNKSTPLOTUVZLO-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.35
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide (CID 72697362) is 3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide.

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

The canonical SMILES for 3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide is O=C(CCc1nc(-c2ccc(Br)cc2F)no1)Nc1ccc2c(c1)c1ccccc1n2CCF.

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

The InChIKey is WNKSTPLOTUVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrF2N4O2/c26-15-5-7-18(20(28)13-15)25-30-24(34-31-25)10-9-23(33)29-16-6-8-22-19(14-16)17-3-1-2-4-21(17)32(22)12-11-27/h1-8,13-14H,9-12H2,(H,29,33).

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

3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide has a molecular weight of 525.35 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(2-fluoroethyl)carbazol-3-yl]propanamide is sourced from PubChem (CID 72697362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).