2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone

C95H90F6N18O8 — CID 158660405

About 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone

2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone (PubChem CID 158660405) has the molecular formula C95H90F6N18O8 and a molecular weight of 1725.87 g/mol. Its IUPAC name is 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone
• PubChem CID: 158660405
• Molecular Formula: C95H90F6N18O8
• Molecular Weight: 1725.87 g/mol
• Exact Mass: 1724.71
• IUPAC Name: 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone
• SMILES: CCc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1-c1ccccc1)C2.CCc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1CC)C2.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(C(F)F)cc3)cc1-c1ccccc1)C2.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(C(F)F)cc4)cc3-c3ccccc3)CC2)o1
• InChI: InChI=1S/C25H24F2N6O2.C25H23FN4O2.C24H20F2N4O2.C21H23FN4O2/c1-17-28-29-25(35-17)32-13-11-31(12-14-32)23(34)16-33-22(19-5-3-2-4-6-19)15-21(30-33)18-7-9-20(10-8-18)24(26)27;1-3-24-27-21-13-29(14-23(21)32-24)25(31)15-30-22(17-7-5-4-6-8-17)12-20(28-30)18-9-10-19(26)16(2)11-18;1-15-27-20-12-29(13-22(20)32-15)23(31)14-30-21(17-5-3-2-4-6-17)11-19(28-30)16-7-9-18(10-8-16)24(25)26;1-4-15-9-17(14-6-7-16(22)13(3)8-14)24-26(15)12-21(27)25-10-18-19(11-25)28-20(5-2)23-18/h2-10,15,24H,11-14,16H2,1H3;4-12H,3,13-15H2,1-2H3;2-11,24H,12-14H2,1H3;6-9H,4-5,10-12H2,1-3H3
• InChIKey: ICRLVEQENZWHIJ-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 272.77 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1725.87
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone?

The IUPAC name of 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone (CID 158660405) is 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone.

What is the SMILES notation for 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone?

The canonical SMILES for 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone is CCc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1-c1ccccc1)C2.CCc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1CC)C2.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(C(F)F)cc3)cc1-c1ccccc1)C2.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4ccc(C(F)F)cc4)cc3-c3ccccc3)CC2)o1.

What is the InChIKey of 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone?

The InChIKey is ICRLVEQENZWHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2.C25H23FN4O2.C24H20F2N4O2.C21H23FN4O2/c1-17-28-29-25(35-17)32-13-11-31(12-14-32)23(34)16-33-22(19-5-3-2-4-6-19)15-21(30-33)18-7-9-20(10-8-18)24(26)27;1-3-24-27-21-13-29(14-23(21)32-24)25(31)15-30-22(17-7-5-4-6-8-17)12-20(28-30)18-9-10-19(26)16(2)11-18;1-15-27-20-12-29(13-22(20)32-15)23(31)14-30-21(17-5-3-2-4-6-17)11-19(28-30)16-7-9-18(10-8-16)24(25)26;1-4-15-9-17(14-6-7-16(22)13(3)8-14)24-26(15)12-21(27)25-10-18-19(11-25)28-20(5-2)23-18/h2-10,15,24H,11-14,16H2,1H3;4-12H,3,13-15H2,1-2H3;2-11,24H,12-14H2,1H3;6-9H,4-5,10-12H2,1-3H3.

What are the key properties of 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone?

2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone has a molecular weight of 1725.87 g/mol, XLogP of 17.60, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethyl)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]ethanone;1-(2-ethyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]ethanone is sourced from PubChem (CID 158660405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).