5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C96H108F6N18O16 — CID 158604358

About 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 158604358) has the molecular formula C96H108F6N18O16 and a molecular weight of 1884.02 g/mol. Its IUPAC name is 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• PubChem CID: 158604358
• Molecular Formula: C96H108F6N18O16
• Molecular Weight: 1884.02 g/mol
• Exact Mass: 1882.81
• IUPAC Name: 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)c3noc(CN(C)C)n3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4coc(C(F)F)n4)CCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@@H]3O)n(C)c2C)ccc1F.Cc1noc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CC2)n1
• InChI: InChI=1S/C25H25F3N4O4.C25H31FN6O4.C23H24FN5O4.C23H28FN3O4/c1-12-10-15(6-7-16(12)26)29-22(34)18-13(2)19(32(4)14(18)3)20(33)23(35)31-25(8-5-9-25)17-11-36-24(30-17)21(27)28;1-13-11-16(9-10-17(13)26)27-22(34)19-14(2)20(32(8)15(19)3)21(33)23(35)29-25(4,5)24-28-18(36-30-24)12-31(6)7;1-11-10-15(6-7-16(11)24)26-20(31)17-12(2)18(29(5)13(17)3)19(30)21(32)27-23(8-9-23)22-25-14(4)28-33-22;1-11-6-9-17(20(11)28)26-23(31)21(29)19-13(3)18(14(4)27(19)5)22(30)25-15-7-8-16(24)12(2)10-15/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,29,34)(H,31,35);9-11H,12H2,1-8H3,(H,27,34)(H,29,35);6-7,10H,8-9H2,1-5H3,(H,26,31)(H,27,32);7-8,10-11,17,20,28H,6,9H2,1-5H3,(H,25,30)(H,26,31)/t;;;11-,17+,20-/m...0/s1
• InChIKey: HWAMCVNSZYDMIT-PNNOKFMDSA-N
• XLogP: 13.49
• TPSA: 448.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.02
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The IUPAC name of 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 158604358) is 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

What is the SMILES notation for 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The canonical SMILES for 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC(C)(C)c3noc(CN(C)C)n3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4coc(C(F)F)n4)CCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CC[C@H](C)[C@@H]3O)n(C)c2C)ccc1F.Cc1noc(C2(NC(=O)C(=O)c3c(C)c(C(=O)Nc4ccc(F)c(C)c4)c(C)n3C)CC2)n1.

What is the InChIKey of 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

The InChIKey is HWAMCVNSZYDMIT-PNNOKFMDSA-N. The full InChI is InChI=1S/C25H25F3N4O4.C25H31FN6O4.C23H24FN5O4.C23H28FN3O4/c1-12-10-15(6-7-16(12)26)29-22(34)18-13(2)19(32(4)14(18)3)20(33)23(35)31-25(8-5-9-25)17-11-36-24(30-17)21(27)28;1-13-11-16(9-10-17(13)26)27-22(34)19-14(2)20(32(8)15(19)3)21(33)23(35)29-25(4,5)24-28-18(36-30-24)12-31(6)7;1-11-10-15(6-7-16(11)24)26-20(31)17-12(2)18(29(5)13(17)3)19(30)21(32)27-23(8-9-23)22-25-14(4)28-33-22;1-11-6-9-17(20(11)28)26-23(31)21(29)19-13(3)18(14(4)27(19)5)22(30)25-15-7-8-16(24)12(2)10-15/h6-7,10-11,21H,5,8-9H2,1-4H3,(H,29,34)(H,31,35);9-11H,12H2,1-8H3,(H,27,34)(H,29,35);6-7,10H,8-9H2,1-5H3,(H,26,31)(H,27,32);7-8,10-11,17,20,28H,6,9H2,1-5H3,(H,25,30)(H,26,31)/t;;;11-,17+,20-/m...0/s1.

What are the key properties of 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?

5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 1884.02 g/mol, XLogP of 13.49, 26 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[1-[2-(difluoromethyl)-1,3-oxazol-4-yl]cyclobutyl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[(1R,2S,3S)-2-hydroxy-3-methylcyclopentyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158604358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).