N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

C124H115F4N23O22 — CID 162041575

About N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide

N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 162041575) has the molecular formula C124H115F4N23O22 and a molecular weight of 2355.41 g/mol. Its IUPAC name is N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 162041575
• Molecular Formula: C124H115F4N23O22
• Molecular Weight: 2355.41 g/mol
• Exact Mass: 2353.85
• IUPAC Name: N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(C(F)(F)F)n2)n1.Cc1nnn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(CC(C)(C)C)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccc(F)cc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1
• InChI: InChI=1S/C23H20N4O4.C21H18F3N5O3.C21H18FN3O4.C20H19N5O3.C20H17N3O4.C19H23N3O4/c1-13-19(21(31-27-13)14-7-3-2-4-8-14)23(30)26-18(20(28)22(24)29)11-15-12-25-17-10-6-5-9-16(15)17;1-12-10-15(29(28-12)17-9-5-8-16(27-17)21(22,23)24)20(32)26-14(18(30)19(25)31)11-13-6-3-2-4-7-13;1-12-17(19(29-25-12)14-5-3-2-4-6-14)21(28)24-16(18(26)20(23)27)11-13-7-9-15(22)10-8-13;1-13-17(25(24-23-13)15-10-6-3-7-11-15)20(28)22-16(18(26)19(21)27)12-14-8-4-2-5-9-14;21-19(25)17(24)16(11-13-7-3-1-4-8-13)23-20(26)15-12-22-27-18(15)14-9-5-2-6-10-14;1-11-14(16(26-22-11)12-8-6-5-7-9-12)18(25)21-13(10-19(2,3)4)15(23)17(20)24/h2-10,12,18,25H,11H2,1H3,(H2,24,29)(H,26,30);2-10,14H,11H2,1H3,(H2,25,31)(H,26,32);2-10,16H,11H2,1H3,(H2,23,27)(H,24,28);2-11,16H,12H2,1H3,(H2,21,27)(H,22,28);1-10,12,16H,11H2,(H2,21,25)(H,23,26);5-9,13H,10H2,1-4H3,(H2,20,24)(H,21,25)
• InChIKey: YXIQZNAISUKAGP-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 716.89 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2355.41
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 162041575) is N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(C(F)(F)F)n2)n1.Cc1nnn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(CC(C)(C)C)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccc(F)cc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.

What is the InChIKey of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is YXIQZNAISUKAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4.C21H18F3N5O3.C21H18FN3O4.C20H19N5O3.C20H17N3O4.C19H23N3O4/c1-13-19(21(31-27-13)14-7-3-2-4-8-14)23(30)26-18(20(28)22(24)29)11-15-12-25-17-10-6-5-9-16(15)17;1-12-10-15(29(28-12)17-9-5-8-16(27-17)21(22,23)24)20(32)26-14(18(30)19(25)31)11-13-6-3-2-4-7-13;1-12-17(19(29-25-12)14-5-3-2-4-6-14)21(28)24-16(18(26)20(23)27)11-13-7-9-15(22)10-8-13;1-13-17(25(24-23-13)15-10-6-3-7-11-15)20(28)22-16(18(26)19(21)27)12-14-8-4-2-5-9-14;21-19(25)17(24)16(11-13-7-3-1-4-8-13)23-20(26)15-12-22-27-18(15)14-9-5-2-6-10-14;1-11-14(16(26-22-11)12-8-6-5-7-9-12)18(25)21-13(10-19(2,3)4)15(23)17(20)24/h2-10,12,18,25H,11H2,1H3,(H2,24,29)(H,26,30);2-10,14H,11H2,1H3,(H2,25,31)(H,26,32);2-10,16H,11H2,1H3,(H2,23,27)(H,24,28);2-11,16H,12H2,1H3,(H2,21,27)(H,22,28);1-10,12,16H,11H2,(H2,21,25)(H,23,26);5-9,13H,10H2,1-4H3,(H2,20,24)(H,21,25).

What are the key properties of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide?

N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 2355.41 g/mol, XLogP of 11.65, 41 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-amino-1-(1H-indol-3-yl)-3,4-dioxobutan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162041575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).