N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine

C57H46F24N12O7 — CID 162231688

About N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine (PubChem CID 162231688) has the molecular formula C57H46F24N12O7 and a molecular weight of 1467.02 g/mol. Its IUPAC name is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine.

Molecular Properties

• Compound Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine
• PubChem CID: 162231688
• Molecular Formula: C57H46F24N12O7
• Molecular Weight: 1467.02 g/mol
• Exact Mass: 1466.32
• IUPAC Name: N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine
• SMILES: C=C(CCC)NCc1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F.CC(F)(F)CC(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F.CC(F)(F)CC(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)cc1F.CC(F)(F)c1nc(-c2ccc(CNC(=O)CC(F)(F)F)cc2F)no1
• InChI: InChI=1S/C15H14F5N3O.C14H10F7N3O2.2C14H11F6N3O2/c1-3-4-8(2)21-7-9-5-6-10(12(17)11(9)16)13-22-14(24-23-13)15(18,19)20;1-13(17,18)4-8(25)22-5-6-2-3-7(10(16)9(6)15)11-23-12(26-24-11)14(19,20)21;1-13(16,17)5-10(24)21-6-8-3-2-7(4-9(8)15)11-22-12(25-23-11)14(18,19)20;1-13(16,17)12-22-11(23-25-12)8-3-2-7(4-9(8)15)6-21-10(24)5-14(18,19)20/h5-6,21H,2-4,7H2,1H3;2-3H,4-5H2,1H3,(H,22,25);2*2-4H,5-6H2,1H3,(H,21,24)
• InChIKey: ZVNAINWKGHEXJL-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 255.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.02
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine?

The IUPAC name of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine (CID 162231688) is N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine.

What is the SMILES notation for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine?

The canonical SMILES for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine is C=C(CCC)NCc1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F.CC(F)(F)CC(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)c(F)c1F.CC(F)(F)CC(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)cc1F.CC(F)(F)c1nc(-c2ccc(CNC(=O)CC(F)(F)F)cc2F)no1.

What is the InChIKey of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine?

The InChIKey is ZVNAINWKGHEXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F5N3O.C14H10F7N3O2.2C14H11F6N3O2/c1-3-4-8(2)21-7-9-5-6-10(12(17)11(9)16)13-22-14(24-23-13)15(18,19)20;1-13(17,18)4-8(25)22-5-6-2-3-7(10(16)9(6)15)11-23-12(26-24-11)14(19,20)21;1-13(16,17)5-10(24)21-6-8-3-2-7(4-9(8)15)11-22-12(25-23-11)14(18,19)20;1-13(16,17)12-22-11(23-25-12)8-3-2-7(4-9(8)15)6-21-10(24)5-14(18,19)20/h5-6,21H,2-4,7H2,1H3;2-3H,4-5H2,1H3,(H,22,25);2*2-4H,5-6H2,1H3,(H,21,24).

What are the key properties of N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine?

N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine has a molecular weight of 1467.02 g/mol, XLogP of 15.24, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenyl]methyl]-3,3,3-trifluoropropanamide;3,3-difluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-3,3-difluorobutanamide;N-[[2,3-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pent-1-en-2-amine is sourced from PubChem (CID 162231688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).