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

C87H92F4N18O8 — CID 160739754

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

2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone (PubChem CID 160739754) has the molecular formula C87H92F4N18O8 and a molecular weight of 1593.80 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone
• PubChem CID: 160739754
• Molecular Formula: C87H92F4N18O8
• Molecular Weight: 1593.80 g/mol
• Exact Mass: 1592.73
• IUPAC Name: 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone
• SMILES: CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2noc(C)n2)CC1.CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1Cc2nc(C)oc2C1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1Cc2nc(C)oc2C1.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1-c1ccccc1)C2
• InChI: InChI=1S/C24H21FN4O2.C22H27FN6O2.C21H23FN4O2.C20H21FN4O2/c1-15-10-18(8-9-19(15)25)20-11-22(17-6-4-3-5-7-17)29(27-20)14-24(30)28-12-21-23(13-28)31-16(2)26-21;1-4-5-18-13-20(17-6-7-19(23)15(2)12-17)25-29(18)14-21(30)27-8-10-28(11-9-27)22-24-16(3)31-26-22;1-4-5-16-9-18(15-6-7-17(22)13(2)8-15)24-26(16)12-21(27)25-10-19-20(11-25)28-14(3)23-19;1-4-15-8-17(14-5-6-16(21)12(2)7-14)23-25(15)11-20(26)24-9-18-19(10-24)27-13(3)22-18/h3-11H,12-14H2,1-2H3;6-7,12-13H,4-5,8-11,14H2,1-3H3;6-9H,4-5,10-12H2,1-3H3;5-8H,4,9-11H2,1-3H3
• InChIKey: RVKMXVCVICJSJG-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 272.77 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1593.80
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone (CID 160739754) is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone.

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

The canonical SMILES for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone is CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2noc(C)n2)CC1.CCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1Cc2nc(C)oc2C1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1Cc2nc(C)oc2C1.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(F)c(C)c3)cc1-c1ccccc1)C2.

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

The InChIKey is RVKMXVCVICJSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2.C22H27FN6O2.C21H23FN4O2.C20H21FN4O2/c1-15-10-18(8-9-19(15)25)20-11-22(17-6-4-3-5-7-17)29(27-20)14-24(30)28-12-21-23(13-28)31-16(2)26-21;1-4-5-18-13-20(17-6-7-19(23)15(2)12-17)25-29(18)14-21(30)27-8-10-28(11-9-27)22-24-16(3)31-26-22;1-4-5-16-9-18(15-6-7-17(22)13(2)8-15)24-26(16)12-21(27)25-10-19-20(11-25)28-14(3)23-19;1-4-15-8-17(14-5-6-16(21)12(2)7-14)23-25(15)11-20(26)24-9-18-19(10-24)27-13(3)22-18/h3-11H,12-14H2,1-2H3;6-7,12-13H,4-5,8-11,14H2,1-3H3;6-9H,4-5,10-12H2,1-3H3;5-8H,4,9-11H2,1-3H3.

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

2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone has a molecular weight of 1593.80 g/mol, XLogP of 14.68, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 160739754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).