N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide

C126H111F2N21O19S2 — CID 160514370

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 160514370) has the molecular formula C126H111F2N21O19S2 and a molecular weight of 2325.53 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide
• PubChem CID: 160514370
• Molecular Formula: C126H111F2N21O19S2
• Molecular Weight: 2325.53 g/mol
• Exact Mass: 2323.78
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2ccc(-c3ccccc3)n2)s1.Cc1cn(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1nc(-c2ccccc2)c(C(=O)NC(C=O)Cc2ccccc2)o1.Cc1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1cccc(F)c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc(F)c1
• InChI: InChI=1S/C25H22N4O3S.2C21H20N4O3.C20H16FN3O4.C20H18N2O3.C19H15FN4O3S/c1-16-14-19(25(33-16)29-13-12-20(28-29)18-10-6-3-7-11-18)24(32)27-21(22(30)23(26)31)15-17-8-4-2-5-9-17;1-14-23-13-18(25(14)16-10-6-3-7-11-16)21(28)24-17(19(26)20(22)27)12-15-8-4-2-5-9-15;1-14-13-25(16-10-6-3-7-11-16)20(23-14)21(28)24-17(18(26)19(22)27)12-15-8-4-2-5-9-15;21-14-8-4-7-13(10-14)17-15(11-28-24-17)20(27)23-16(18(25)19(22)26)9-12-5-2-1-3-6-12;1-14-21-18(16-10-6-3-7-11-16)19(25-14)20(24)22-17(13-23)12-15-8-4-2-5-9-15;20-13-8-4-7-12(10-13)15-16(24-28-23-15)19(27)22-14(17(25)18(21)26)9-11-5-2-1-3-6-11/h2-14,21H,15H2,1H3,(H2,26,31)(H,27,32);2*2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-8,10-11,16H,9H2,(H2,22,26)(H,23,27);2-11,13,17H,12H2,1H3,(H,22,24);1-8,10,14H,9H2,(H2,21,26)(H,22,27)
• InChIKey: QTLLJSTWBBGULZ-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 623.77 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 42
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.53
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide (CID 160514370) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2ccc(-c3ccccc3)n2)s1.Cc1cn(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1nc(-c2ccccc2)c(C(=O)NC(C=O)Cc2ccccc2)o1.Cc1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1cccc(F)c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc(F)c1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide?

The InChIKey is QTLLJSTWBBGULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S.2C21H20N4O3.C20H16FN3O4.C20H18N2O3.C19H15FN4O3S/c1-16-14-19(25(33-16)29-13-12-20(28-29)18-10-6-3-7-11-18)24(32)27-21(22(30)23(26)31)15-17-8-4-2-5-9-17;1-14-23-13-18(25(14)16-10-6-3-7-11-16)21(28)24-17(19(26)20(22)27)12-15-8-4-2-5-9-15;1-14-13-25(16-10-6-3-7-11-16)20(23-14)21(28)24-17(18(26)19(22)27)12-15-8-4-2-5-9-15;21-14-8-4-7-13(10-14)17-15(11-28-24-17)20(27)23-16(18(25)19(22)26)9-12-5-2-1-3-6-12;1-14-21-18(16-10-6-3-7-11-16)19(25-14)20(24)22-17(13-23)12-15-8-4-2-5-9-15;20-13-8-4-7-12(10-13)15-16(24-28-23-15)19(27)22-14(17(25)18(21)26)9-11-5-2-1-3-6-11/h2-14,21H,15H2,1H3,(H2,26,31)(H,27,32);2*2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-8,10-11,16H,9H2,(H2,22,26)(H,23,27);2-11,13,17H,12H2,1H3,(H,22,24);1-8,10,14H,9H2,(H2,21,26)(H,22,27).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 2325.53 g/mol, XLogP of 13.26, 42 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-phenylpyrazol-1-yl)thiophene-3-carboxamide;2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 160514370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).