2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine

C23H20F4N4O2 — CID 67325200

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine (PubChem CID 67325200) has the molecular formula C23H20F4N4O2 and a molecular weight of 460.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine.

Molecular Properties

• Compound Name: 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine
• PubChem CID: 67325200
• Molecular Formula: C23H20F4N4O2
• Molecular Weight: 460.43 g/mol
• Exact Mass: 460.15
• IUPAC Name: 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine
• SMILES: CC(CN)(CCc1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C23H20F4N4O2/c1-22(13-28,18-12-32-20(29-18)15-5-7-17(24)8-6-15)10-9-14-3-2-4-16(11-14)19-30-21(33-31-19)23(25,26)27/h2-8,11-12H,9-10,13,28H2,1H3
• InChIKey: VFOLGGIOJHOVOZ-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 90.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.43
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine?

The IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine (CID 67325200) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine.

What is the SMILES notation for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine?

The canonical SMILES for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine is CC(CN)(CCc1cccc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccc(F)cc2)n1.

What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine?

The InChIKey is VFOLGGIOJHOVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O2/c1-22(13-28,18-12-32-20(29-18)15-5-7-17(24)8-6-15)10-9-14-3-2-4-16(11-14)19-30-21(33-31-19)23(25,26)27/h2-8,11-12H,9-10,13,28H2,1H3.

What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine?

2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine has a molecular weight of 460.43 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methyl-4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butan-1-amine is sourced from PubChem (CID 67325200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).