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

C26H23FN4O3 — CID 72696922

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide (PubChem CID 72696922) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide
• PubChem CID: 72696922
• Molecular Formula: C26H23FN4O3
• Molecular Weight: 458.49 g/mol
• Exact Mass: 458.18
• IUPAC Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide
• SMILES: O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCCO
• InChI: InChI=1S/C26H23FN4O3/c27-18-8-6-17(7-9-18)26-29-25(34-30-26)13-12-24(33)28-19-10-11-23-21(16-19)20-4-1-2-5-22(20)31(23)14-3-15-32/h1-2,4-11,16,32H,3,12-15H2,(H,28,33)
• InChIKey: UXQHBETZKUXWDU-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 93.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.49
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide (CID 72696922) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide.

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

The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCCO.

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

The InChIKey is UXQHBETZKUXWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c27-18-8-6-17(7-9-18)26-29-25(34-30-26)13-12-24(33)28-19-10-11-23-21(16-19)20-4-1-2-5-22(20)31(23)14-3-15-32/h1-2,4-11,16,32H,3,12-15H2,(H,28,33).

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

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide has a molecular weight of 458.49 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[9-(3-hydroxypropyl)carbazol-3-yl]propanamide is sourced from PubChem (CID 72696922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).