2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone

C73H64F6N14O8S — CID 161262376

About 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone

2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone (PubChem CID 161262376) has the molecular formula C73H64F6N14O8S and a molecular weight of 1411.46 g/mol. Its IUPAC name is 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone
• PubChem CID: 161262376
• Molecular Formula: C73H64F6N14O8S
• Molecular Weight: 1411.46 g/mol
• Exact Mass: 1410.47
• IUPAC Name: 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone
• SMILES: Cc1nc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cc4)cc3-c3ccccc3)CC2)no1.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(OC(F)F)cc3)cc1-c1ccccc1)C2.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(OC(F)F)cc3)cc1-c1ccccc1)C2
• InChI: InChI=1S/C25H24F2N6O3.C24H20F2N4O3.C24H20F2N4O2S/c1-17-28-25(30-36-17)32-13-11-31(12-14-32)23(34)16-33-22(19-5-3-2-4-6-19)15-21(29-33)18-7-9-20(10-8-18)35-24(26)27;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)33-24(25)26;1-15-27-20-12-29(13-22(20)33-15)23(31)14-30-21(17-5-3-2-4-6-17)11-19(28-30)16-7-9-18(10-8-16)32-24(25)26/h2-10,15,24H,11-14,16H2,1H3;2*2-11,24H,12-14H2,1H3
• InChIKey: VCSNDQWXKPFMHR-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 223.16 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.46
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone (CID 161262376) is 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone.

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

The canonical SMILES for 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone is Cc1nc(N2CCN(C(=O)Cn3nc(-c4ccc(OC(F)F)cc4)cc3-c3ccccc3)CC2)no1.Cc1nc2c(o1)CN(C(=O)Cn1nc(-c3ccc(OC(F)F)cc3)cc1-c1ccccc1)C2.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3ccc(OC(F)F)cc3)cc1-c1ccccc1)C2.

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

The InChIKey is VCSNDQWXKPFMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O3.C24H20F2N4O3.C24H20F2N4O2S/c1-17-28-25(30-36-17)32-13-11-31(12-14-32)23(34)16-33-22(19-5-3-2-4-6-19)15-21(29-33)18-7-9-20(10-8-18)35-24(26)27;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)33-24(25)26;1-15-27-20-12-29(13-22(20)33-15)23(31)14-30-21(17-5-3-2-4-6-17)11-19(28-30)16-7-9-18(10-8-16)32-24(25)26/h2-10,15,24H,11-14,16H2,1H3;2*2-11,24H,12-14H2,1H3.

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

2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone has a molecular weight of 1411.46 g/mol, XLogP of 13.64, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 161262376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).