N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine

C71H76F14N18O12 — CID 158946717

About N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine (PubChem CID 158946717) has the molecular formula C71H76F14N18O12 and a molecular weight of 1639.47 g/mol. Its IUPAC name is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine.

Molecular Properties

• Compound Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine
• PubChem CID: 158946717
• Molecular Formula: C71H76F14N18O12
• Molecular Weight: 1639.47 g/mol
• Exact Mass: 1638.57
• IUPAC Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine
• SMILES: C=C(NCc1ccc(-c2noc(C(F)(F)F)n2)cc1)N(C)CC.CC(F)(F)c1nc(-c2ccc(CNC(=O)COC(F)F)cc2)no1.CCONC(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)cc1.CNC(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.COC(C)(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1
• InChI: InChI=1S/C16H19F2N3O3.C15H17F3N4O.C14H13F4N3O3.C13H13F3N4O3.C13H14F2N4O2/c1-15(2,23-4)13(22)19-9-10-5-7-11(8-6-10)12-20-14(24-21-12)16(3,17)18;1-4-22(3)10(2)19-9-11-5-7-12(8-6-11)13-20-14(23-21-13)15(16,17)18;1-14(17,18)12-20-11(21-24-12)9-4-2-8(3-5-9)6-19-10(22)7-23-13(15)16;1-2-22-20-12(21)17-7-8-3-5-9(6-4-8)10-18-11(23-19-10)13(14,15)16;1-13(14,15)11-18-10(19-21-11)9-5-3-8(4-6-9)7-17-12(20)16-2/h5-8H,9H2,1-4H3,(H,19,22);5-8,19H,2,4,9H2,1,3H3;2-5,13H,6-7H2,1H3,(H,19,22);3-6H,2,7H2,1H3,(H2,17,20,21);3-6H,7H2,1-2H3,(H2,16,17,20)
• InChIKey: JKXKEAHKCDIOQG-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 378.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1639.47
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine?

The IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine (CID 158946717) is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine.

What is the SMILES notation for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine?

The canonical SMILES for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine is C=C(NCc1ccc(-c2noc(C(F)(F)F)n2)cc1)N(C)CC.CC(F)(F)c1nc(-c2ccc(CNC(=O)COC(F)F)cc2)no1.CCONC(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)cc1.CNC(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.COC(C)(C)C(=O)NCc1ccc(-c2noc(C(C)(F)F)n2)cc1.

What is the InChIKey of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine?

The InChIKey is JKXKEAHKCDIOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3.C15H17F3N4O.C14H13F4N3O3.C13H13F3N4O3.C13H14F2N4O2/c1-15(2,23-4)13(22)19-9-10-5-7-11(8-6-10)12-20-14(24-21-12)16(3,17)18;1-4-22(3)10(2)19-9-11-5-7-12(8-6-11)13-20-14(23-21-13)15(16,17)18;1-14(17,18)12-20-11(21-24-12)9-4-2-8(3-5-9)6-19-10(22)7-23-13(15)16;1-2-22-20-12(21)17-7-8-3-5-9(6-4-8)10-18-11(23-19-10)13(14,15)16;1-13(14,15)11-18-10(19-21-11)9-5-3-8(4-6-9)7-17-12(20)16-2/h5-8H,9H2,1-4H3,(H,19,22);5-8,19H,2,4,9H2,1,3H3;2-5,13H,6-7H2,1H3,(H,19,22);3-6H,2,7H2,1H3,(H2,17,20,21);3-6H,7H2,1-2H3,(H2,16,17,20).

What are the key properties of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine?

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine has a molecular weight of 1639.47 g/mol, XLogP of 13.64, 28 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-(difluoromethoxy)acetamide;N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-methoxy-2-methylpropanamide;1-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3-methylurea;1-ethoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea;1-N'-ethyl-1-N'-methyl-1-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]ethene-1,1-diamine is sourced from PubChem (CID 158946717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).