4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide

C61H70F12N16O12 — CID 163850645

About 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide

4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide (PubChem CID 163850645) has the molecular formula C61H70F12N16O12 and a molecular weight of 1447.31 g/mol. Its IUPAC name is 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide.

Molecular Properties

• Compound Name: 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide
• PubChem CID: 163850645
• Molecular Formula: C61H70F12N16O12
• Molecular Weight: 1447.31 g/mol
• Exact Mass: 1446.52
• IUPAC Name: 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide
• SMILES: CCONC(C)CNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CCONCCCNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCCCNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCCNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F
• InChI: InChI=1S/2C16H19F3N4O3.C15H17F3N4O3.C14H15F3N4O3/c1-4-25-22-9(2)8-20-14(24)11-6-5-10(7-12(11)17)13-21-15(26-23-13)16(3,18)19;1-3-25-21-8-4-7-20-14(24)11-6-5-10(9-12(11)17)13-22-15(26-23-13)16(2,18)19;1-15(17,18)14-21-12(22-25-14)9-4-5-10(11(16)8-9)13(23)19-6-3-7-20-24-2;1-14(16,17)13-20-11(21-24-13)8-3-4-9(10(15)7-8)12(22)18-5-6-19-23-2/h5-7,9,22H,4,8H2,1-3H3,(H,20,24);5-6,9,21H,3-4,7-8H2,1-2H3,(H,20,24);4-5,8,20H,3,6-7H2,1-2H3,(H,19,23);3-4,7,19H,5-6H2,1-2H3,(H,18,22)
• InChIKey: OUBKIDOXESJHPR-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 357.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1447.31
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide?

The IUPAC name of 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide (CID 163850645) is 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide.

What is the SMILES notation for 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide?

The canonical SMILES for 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide is CCONC(C)CNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CCONCCCNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCCCNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCCNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.

What is the InChIKey of 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide?

The InChIKey is OUBKIDOXESJHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19F3N4O3.C15H17F3N4O3.C14H15F3N4O3/c1-4-25-22-9(2)8-20-14(24)11-6-5-10(7-12(11)17)13-21-15(26-23-13)16(3,18)19;1-3-25-21-8-4-7-20-14(24)11-6-5-10(9-12(11)17)13-22-15(26-23-13)16(2,18)19;1-15(17,18)14-21-12(22-25-14)9-4-5-10(11(16)8-9)13(23)19-6-3-7-20-24-2;1-14(16,17)13-20-11(21-24-13)8-3-4-9(10(15)7-8)12(22)18-5-6-19-23-2/h5-7,9,22H,4,8H2,1-3H3,(H,20,24);5-6,9,21H,3-4,7-8H2,1-2H3,(H,20,24);4-5,8,20H,3,6-7H2,1-2H3,(H,19,23);3-4,7,19H,5-6H2,1-2H3,(H,18,22).

What are the key properties of 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide?

4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide has a molecular weight of 1447.31 g/mol, XLogP of 9.42, 32 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[2-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[3-(ethoxyamino)propyl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)ethyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[3-(methoxyamino)propyl]benzamide is sourced from PubChem (CID 163850645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).