N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide

C105H91F5N18O18 — CID 165082518

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (PubChem CID 165082518) has the molecular formula C105H91F5N18O18 and a molecular weight of 1987.98 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
• PubChem CID: 165082518
• Molecular Formula: C105H91F5N18O18
• Molecular Weight: 1987.98 g/mol
• Exact Mass: 1986.67
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
• SMILES: Cn1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(-c2ccccc2)noc1C(F)(F)F.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(CC2CC2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccc(F)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccccc1F
• InChI: InChI=1S/C24H24N4O3.C21H16F3N3O4.2C20H16FN3O4.C20H19N5O3/c25-23(30)22(29)20(13-16-7-3-1-4-8-16)26-24(31)19-15-28(14-17-11-12-17)27-21(19)18-9-5-2-6-10-18;22-21(23,24)18-15(16(27-31-18)13-9-5-2-6-10-13)20(30)26-14(17(28)19(25)29)11-12-7-3-1-4-8-12;21-15-9-5-4-8-13(15)17-14(11-28-24-17)20(27)23-16(18(25)19(22)26)10-12-6-2-1-3-7-12;21-14-8-6-13(7-9-14)17-15(11-28-24-17)20(27)23-16(18(25)19(22)26)10-12-4-2-1-3-5-12;1-25-23-16(14-10-6-3-7-11-14)17(24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13/h1-10,15,17,20H,11-14H2,(H2,25,30)(H,26,31);1-10,14H,11H2,(H2,25,29)(H,26,30);2*1-9,11,16H,10H2,(H2,22,26)(H,23,27);2-11,15H,12H2,1H3,(H2,21,27)(H,22,28)
• InChIKey: VIXDIZLYYVUINI-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 572.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.98
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	10
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 N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide (CID 165082518) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is Cn1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(-c2ccccc2)noc1C(F)(F)F.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(CC2CC2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccc(F)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccccc1F.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

The InChIKey is VIXDIZLYYVUINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.C21H16F3N3O4.2C20H16FN3O4.C20H19N5O3/c25-23(30)22(29)20(13-16-7-3-1-4-8-16)26-24(31)19-15-28(14-17-11-12-17)27-21(19)18-9-5-2-6-10-18;22-21(23,24)18-15(16(27-31-18)13-9-5-2-6-10-13)20(30)26-14(17(28)19(25)29)11-12-7-3-1-4-8-12;21-15-9-5-4-8-13(15)17-14(11-28-24-17)20(27)23-16(18(25)19(22)26)10-12-6-2-1-3-7-12;21-14-8-6-13(7-9-14)17-15(11-28-24-17)20(27)23-16(18(25)19(22)26)10-12-4-2-1-3-5-12;1-25-23-16(14-10-6-3-7-11-14)17(24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13/h1-10,15,17,20H,11-14H2,(H2,25,30)(H,26,31);1-10,14H,11H2,(H2,25,29)(H,26,30);2*1-9,11,16H,10H2,(H2,22,26)(H,23,27);2-11,15H,12H2,1H3,(H2,21,27)(H,22,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 1987.98 g/mol, XLogP of 9.74, 37 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(cyclopropylmethyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 165082518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).