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

C76H85F15N20O15 — CID 172987220

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

4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide (PubChem CID 172987220) has the molecular formula C76H85F15N20O15 and a molecular weight of 1803.61 g/mol. Its IUPAC name is 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide.

Molecular Properties

• Compound Name: 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide
• PubChem CID: 172987220
• Molecular Formula: C76H85F15N20O15
• Molecular Weight: 1803.61 g/mol
• Exact Mass: 1802.63
• IUPAC Name: 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide
• SMILES: CCONCC(C)NC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CO/N=C/CNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONC(C)CNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCC(C)(C)NC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCC(C)NC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F
• InChI: InChI=1S/2C16H19F3N4O3.2C15H17F3N4O3.C14H13F3N4O3/c1-15(2,8-20-25-4)22-13(24)10-6-5-9(7-11(10)17)12-21-14(26-23-12)16(3,18)19;1-4-25-20-8-9(2)21-14(24)11-6-5-10(7-12(11)17)13-22-15(26-23-13)16(3,18)19;1-8(7-19-24-3)20-13(23)10-5-4-9(6-11(10)16)12-21-14(25-22-12)15(2,17)18;1-8(21-24-3)7-19-13(23)10-5-4-9(6-11(10)16)12-20-14(25-22-12)15(2,17)18;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/h5-7,20H,8H2,1-4H3,(H,22,24);5-7,9,20H,4,8H2,1-3H3,(H,21,24);4-6,8,19H,7H2,1-3H3,(H,20,23);4-6,8,21H,7H2,1-3H3,(H,19,23);3-4,6-7H,5H2,1-2H3,(H,18,22)/b;;;;19-6+
• InChIKey: GTLMBFYVLCEXPH-RWGOGWBNSA-N
• XLogP: 12.16
• TPSA: 446.73 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.61
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide?

The IUPAC name of 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide (CID 172987220) is 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide.

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

The canonical SMILES for 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide is CCONCC(C)NC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CO/N=C/CNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONC(C)CNC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCC(C)(C)NC(=O)c1ccc(-c2noc(C(C)(F)F)n2)cc1F.CONCC(C)NC(=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-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide?

The InChIKey is GTLMBFYVLCEXPH-RWGOGWBNSA-N. The full InChI is InChI=1S/2C16H19F3N4O3.2C15H17F3N4O3.C14H13F3N4O3/c1-15(2,8-20-25-4)22-13(24)10-6-5-9(7-11(10)17)12-21-14(26-23-12)16(3,18)19;1-4-25-20-8-9(2)21-14(24)11-6-5-10(7-12(11)17)13-22-15(26-23-13)16(3,18)19;1-8(7-19-24-3)20-13(23)10-5-4-9(6-11(10)16)12-21-14(25-22-12)15(2,17)18;1-8(21-24-3)7-19-13(23)10-5-4-9(6-11(10)16)12-20-14(25-22-12)15(2,17)18;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/h5-7,20H,8H2,1-4H3,(H,22,24);5-7,9,20H,4,8H2,1-3H3,(H,21,24);4-6,8,19H,7H2,1-3H3,(H,20,23);4-6,8,21H,7H2,1-3H3,(H,19,23);3-4,6-7H,5H2,1-2H3,(H,18,22)/b;;;;19-6+.

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

4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide has a molecular weight of 1803.61 g/mol, XLogP of 12.16, 35 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-N-[1-(ethoxyamino)propan-2-yl]-2-fluorobenzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)-2-methylpropan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[1-(methoxyamino)propan-2-yl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[2-(methoxyamino)propyl]benzamide;4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2E)-2-methoxyiminoethyl]benzamide is sourced from PubChem (CID 172987220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).