[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

C23H16F4N4O2S — CID 53327927

About [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone

[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 53327927) has the molecular formula C23H16F4N4O2S and a molecular weight of 488.47 g/mol. Its IUPAC name is [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

• Compound Name: [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
• PubChem CID: 53327927
• Molecular Formula: C23H16F4N4O2S
• Molecular Weight: 488.47 g/mol
• Exact Mass: 488.09
• IUPAC Name: [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
• SMILES: O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CC(Cc2nc(-c3ccc(F)cc3)cs2)C1
• InChI: InChI=1S/C23H16F4N4O2S/c24-17-6-4-14(5-7-17)18-12-34-19(28-18)8-13-10-31(11-13)21(32)16-3-1-2-15(9-16)20-29-22(33-30-20)23(25,26)27/h1-7,9,12-13H,8,10-11H2
• InChIKey: IDLFRQKHWNJPDS-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.47
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 53327927) is [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

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

The canonical SMILES for [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CC(Cc2nc(-c3ccc(F)cc3)cs2)C1.

What is the InChIKey of [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?

The InChIKey is IDLFRQKHWNJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O2S/c24-17-6-4-14(5-7-17)18-12-34-19(28-18)8-13-10-31(11-13)21(32)16-3-1-2-15(9-16)20-29-22(33-30-20)23(25,26)27/h1-7,9,12-13H,8,10-11H2.

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

[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 488.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]azetidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 53327927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).