N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

C124H114ClF4N27O22 — CID 167552826

About N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 167552826) has the molecular formula C124H114ClF4N27O22 and a molecular weight of 2445.89 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 167552826
• Molecular Formula: C124H114ClF4N27O22
• Molecular Weight: 2445.89 g/mol
• Exact Mass: 2443.83
• IUPAC Name: N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
• SMILES: CCC(NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(C)n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(Cl)n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccncn2)n1.Cc1nc(-c2ccc(F)cc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C29H24F3N3O5.C21H18FN3O4.C20H20N6O3.C19H17ClN6O3.C19H18N6O3.C16H17N3O4/c1-18-24(26(40-35-18)21-10-6-3-7-11-21)27(37)34-23(16-19-8-4-2-5-9-19)25(36)28(38)33-17-20-12-14-22(15-13-20)39-29(30,31)32;1-12-24-17(14-7-9-15(22)10-8-14)19(29-12)21(28)25-16(18(26)20(23)27)11-13-5-3-2-4-6-13;1-12-10-16(26(25-12)17-8-9-22-13(2)23-17)20(29)24-15(18(27)19(21)28)11-14-6-4-3-5-7-14;1-11-9-14(26(25-11)15-7-8-22-19(20)24-15)18(29)23-13(16(27)17(21)28)10-12-5-3-2-4-6-12;1-12-9-15(25(24-12)16-7-8-21-11-22-16)19(28)23-14(17(26)18(20)27)10-13-5-3-2-4-6-13;1-3-11(13(20)15(17)21)19-16(22)14-12(18-9(2)23-14)10-7-5-4-6-8-10/h2-15,23H,16-17H2,1H3,(H,33,38)(H,34,37);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);3-10,15H,11H2,1-2H3,(H2,21,28)(H,24,29);2-9,13H,10H2,1H3,(H2,21,28)(H,23,29);2-9,11,14H,10H2,1H3,(H2,20,27)(H,23,28);4-8,11H,3H2,1-2H3,(H2,17,21)(H,19,22)
• InChIKey: CQBFRDHMSHSWQJ-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 739.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 44
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.89
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 167552826) is N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is CCC(NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(C)n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(Cl)n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccncn2)n1.Cc1nc(-c2ccc(F)cc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc(OC(F)(F)F)cc1.

What is the InChIKey of N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is CQBFRDHMSHSWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N3O5.C21H18FN3O4.C20H20N6O3.C19H17ClN6O3.C19H18N6O3.C16H17N3O4/c1-18-24(26(40-35-18)21-10-6-3-7-11-21)27(37)34-23(16-19-8-4-2-5-9-19)25(36)28(38)33-17-20-12-14-22(15-13-20)39-29(30,31)32;1-12-24-17(14-7-9-15(22)10-8-14)19(29-12)21(28)25-16(18(26)20(23)27)11-13-5-3-2-4-6-13;1-12-10-16(26(25-12)17-8-9-22-13(2)23-17)20(29)24-15(18(27)19(21)28)11-14-6-4-3-5-7-14;1-11-9-14(26(25-11)15-7-8-22-19(20)24-15)18(29)23-13(16(27)17(21)28)10-12-5-3-2-4-6-12;1-12-9-15(25(24-12)16-7-8-21-11-22-16)19(28)23-14(17(26)18(20)27)10-13-5-3-2-4-6-13;1-3-11(13(20)15(17)21)19-16(22)14-12(18-9(2)23-14)10-7-5-4-6-8-10/h2-15,23H,16-17H2,1H3,(H,33,38)(H,34,37);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);3-10,15H,11H2,1-2H3,(H2,21,28)(H,24,29);2-9,13H,10H2,1H3,(H2,21,28)(H,23,29);2-9,11,14H,10H2,1H3,(H2,20,27)(H,23,28);4-8,11H,3H2,1-2H3,(H2,17,21)(H,19,22).

What are the key properties of N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 2445.89 g/mol, XLogP of 10.23, 44 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167552826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).