N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C26H23FN6O3S — CID 5000292

About N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 5000292) has the molecular formula C26H23FN6O3S and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 5000292
• Molecular Formula: C26H23FN6O3S
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.15
• IUPAC Name: N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
• InChI: InChI=1S/C26H23FN6O3S/c27-19-6-4-18(5-7-19)25(35)33-15-13-32(14-16-33)21-10-8-20(9-11-21)29-23(34)17-37-26-31-30-24(36-26)22-3-1-2-12-28-22/h1-12H,13-17H2,(H,29,34)
• InChIKey: WWFOUWSCVCTCLH-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 104.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 5000292) is N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccn2)o1)Nc1ccc(N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.

What is the InChIKey of N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is WWFOUWSCVCTCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3S/c27-19-6-4-18(5-7-19)25(35)33-15-13-32(14-16-33)21-10-8-20(9-11-21)29-23(34)17-37-26-31-30-24(36-26)22-3-1-2-12-28-22/h1-12H,13-17H2,(H,29,34).

What are the key properties of N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 518.57 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5000292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).