N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide

C24H26F3N5O3 — CID 166977101

About N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide (PubChem CID 166977101) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide.

Molecular Properties

• Compound Name: N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide
• PubChem CID: 166977101
• Molecular Formula: C24H26F3N5O3
• Molecular Weight: 489.50 g/mol
• Exact Mass: 489.20
• IUPAC Name: N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide
• SMILES: C=C(F)CCC(=O)N(CCCCCc1nc(C(F)F)no1)c1cccc(-c2noc(C3CC3)n2)c1
• InChI: InChI=1S/C24H26F3N5O3/c1-15(25)9-12-20(33)32(13-4-2-3-8-19-28-23(21(26)27)31-34-19)18-7-5-6-17(14-18)22-29-24(35-30-22)16-10-11-16/h5-7,14,16,21H,1-4,8-13H2
• InChIKey: XKLOHCXBFMMIHE-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 98.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.50
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide?

The IUPAC name of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide (CID 166977101) is N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide.

What is the SMILES notation for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide?

The canonical SMILES for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide is C=C(F)CCC(=O)N(CCCCCc1nc(C(F)F)no1)c1cccc(-c2noc(C3CC3)n2)c1.

What is the InChIKey of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide?

The InChIKey is XKLOHCXBFMMIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-15(25)9-12-20(33)32(13-4-2-3-8-19-28-23(21(26)27)31-34-19)18-7-5-6-17(14-18)22-29-24(35-30-22)16-10-11-16/h5-7,14,16,21H,1-4,8-13H2.

What are the key properties of N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide?

N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide has a molecular weight of 489.50 g/mol, XLogP of 5.94, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide is sourced from PubChem (CID 166977101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).