1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane

C73H65F9N10O11 — CID 160711925

About 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane

1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane (PubChem CID 160711925) has the molecular formula C73H65F9N10O11 and a molecular weight of 1429.36 g/mol. Its IUPAC name is 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane.

Molecular Properties

• Compound Name: 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane
• PubChem CID: 160711925
• Molecular Formula: C73H65F9N10O11
• Molecular Weight: 1429.36 g/mol
• Exact Mass: 1428.47
• IUPAC Name: 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane
• SMILES: C.CCCCC(=O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1.CCCCC(=O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1.CCCCC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
• InChI: InChI=1S/C24H21F3N4O3.2C24H20F3N3O4.CH4/c1-2-3-9-19(32)20(33)15-10-12-16(13-11-15)22-29-23(34-30-22)18-14-28-31(21(18)24(25,26)27)17-7-5-4-6-8-17;1-2-3-9-17(31)20(32)14-10-12-16(13-11-14)22-28-23(34-30-22)19-18(24(25,26)27)21(33-29-19)15-7-5-4-6-8-15;1-2-3-9-17(31)20(32)15-10-12-16(13-11-15)22-28-23(34-30-22)21-18(24(25,26)27)19(29-33-21)14-7-5-4-6-8-14;/h4-8,10-14,20,33H,2-3,9H2,1H3;2*4-8,10-13,20,32H,2-3,9H2,1H3;1H4
• InChIKey: RRYXXXMEZPUQRS-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 298.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.36
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane?

The IUPAC name of 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane (CID 160711925) is 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane.

What is the SMILES notation for 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane?

The canonical SMILES for 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane is C.CCCCC(=O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1.CCCCC(=O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1.CCCCC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.

What is the InChIKey of 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane?

The InChIKey is RRYXXXMEZPUQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3.2C24H20F3N3O4.CH4/c1-2-3-9-19(32)20(33)15-10-12-16(13-11-15)22-29-23(34-30-22)18-14-28-31(21(18)24(25,26)27)17-7-5-4-6-8-17;1-2-3-9-17(31)20(32)14-10-12-16(13-11-14)22-28-23(34-30-22)19-18(24(25,26)27)21(33-29-19)15-7-5-4-6-8-15;1-2-3-9-17(31)20(32)15-10-12-16(13-11-15)22-28-23(34-30-22)21-18(24(25,26)27)19(29-33-21)14-7-5-4-6-8-14;/h4-8,10-14,20,33H,2-3,9H2,1H3;2*4-8,10-13,20,32H,2-3,9H2,1H3;1H4.

What are the key properties of 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane?

1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane has a molecular weight of 1429.36 g/mol, XLogP of 17.78, 24 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-hydroxy-1-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;1-hydroxy-1-[4-[5-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]hexan-2-one;methane is sourced from PubChem (CID 160711925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).