N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide

C121H112F4N24O21S — CID 158899491

About N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 158899491) has the molecular formula C121H112F4N24O21S and a molecular weight of 2346.43 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 158899491
• Molecular Formula: C121H112F4N24O21S
• Molecular Weight: 2346.43 g/mol
• Exact Mass: 2344.81
• IUPAC Name: N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: CCCCC(NC(=O)c1c(C)noc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(C(F)(F)F)n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cnccn2)n1.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccc(F)cc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-c1ccccn1
• InChI: InChI=1S/C22H20N4O3S.C21H18F3N5O3.C21H18FN3O4.C20H17N3O4.C19H18N6O3.C18H21N3O4/c27-19(21(28)25-15-9-10-15)17(12-14-6-2-1-3-7-14)26-22(29)20-18(24-13-30-20)16-8-4-5-11-23-16;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;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;1-12-9-15(25(24-12)16-11-21-7-8-22-16)19(28)23-14(17(26)18(20)27)10-13-5-3-2-4-6-13;1-3-4-10-13(15(22)17(19)23)20-18(24)14-11(2)21-25-16(14)12-8-6-5-7-9-12/h1-8,11,13,15,17H,9-10,12H2,(H,25,28)(H,26,29);2-10,14H,11H2,1H3,(H2,25,31)(H,26,32);2-10,16H,11H2,1H3,(H2,23,27)(H,24,28);1-10,12,16H,11H2,(H2,21,25)(H,23,26);2-9,11,14H,10H2,1H3,(H2,20,27)(H,23,28);5-9,13H,3-4,10H2,1-2H3,(H2,19,23)(H,20,24)
• InChIKey: JFGGZNPBZFPHCR-UHFFFAOYSA-N
• XLogP: 10.66
• TPSA: 699.75 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 44
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.43
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

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-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 158899491) is N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide is CCCCC(NC(=O)c1c(C)noc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(C(F)(F)F)n2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cnccn2)n1.Cc1noc(-c2ccccc2)c1C(=O)NC(Cc1ccc(F)cc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1scnc1-c1ccccn1.

What is the InChIKey of N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is JFGGZNPBZFPHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S.C21H18F3N5O3.C21H18FN3O4.C20H17N3O4.C19H18N6O3.C18H21N3O4/c27-19(21(28)25-15-9-10-15)17(12-14-6-2-1-3-7-14)26-22(29)20-18(24-13-30-20)16-8-4-5-11-23-16;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;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;1-12-9-15(25(24-12)16-11-21-7-8-22-16)19(28)23-14(17(26)18(20)27)10-13-5-3-2-4-6-13;1-3-4-10-13(15(22)17(19)23)20-18(24)14-11(2)21-25-16(14)12-8-6-5-7-9-12/h1-8,11,13,15,17H,9-10,12H2,(H,25,28)(H,26,29);2-10,14H,11H2,1H3,(H2,25,31)(H,26,32);2-10,16H,11H2,1H3,(H2,23,27)(H,24,28);1-10,12,16H,11H2,(H2,21,25)(H,23,26);2-9,11,14H,10H2,1H3,(H2,20,27)(H,23,28);5-9,13H,3-4,10H2,1-2H3,(H2,19,23)(H,20,24).

What are the key properties of N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide?

N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 2346.43 g/mol, XLogP of 10.66, 44 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-1,2-dioxoheptan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-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-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158899491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).