N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide

C124H113FN26O20 — CID 167567743

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-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)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide (PubChem CID 167567743) has the molecular formula C124H113FN26O20 and a molecular weight of 2306.43 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide
• PubChem CID: 167567743
• Molecular Formula: C124H113FN26O20
• Molecular Weight: 2306.43 g/mol
• Exact Mass: 2304.86
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide
• SMILES: Cc1[nH]nc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nc2ccccc2o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cn1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1nnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(F)cnn1-c1ccccc1
• InChI: InChI=1S/C22H19N5O4.C21H20N4O3.C21H19N3O4.C20H17FN4O3.2C20H19N5O3/c1-13-11-17(26-27(13)22-25-15-9-5-6-10-18(15)31-22)21(30)24-16(19(28)20(23)29)12-14-7-3-2-4-8-14;1-13-17(18(25-24-13)15-10-6-3-7-11-15)21(28)23-16(19(26)20(22)27)12-14-8-4-2-5-9-14;1-13-23-17(15-10-6-3-7-11-15)19(28-13)21(27)24-16(18(25)20(22)26)12-14-8-4-2-5-9-14;21-15-12-23-25(14-9-5-2-6-10-14)17(15)20(28)24-16(18(26)19(22)27)11-13-7-3-1-4-8-13;1-25-17(14-10-6-3-7-11-14)16(23-24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;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/h2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);2-11,16H,12H2,1H3,(H2,22,27)(H,23,28)(H,24,25);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);1-10,12,16H,11H2,(H2,22,27)(H,24,28);2*2-11,15H,12H2,1H3,(H2,21,27)(H,22,28)
• InChIKey: FMRSSZLGEIWELF-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 713.36 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2306.43
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

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-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide (CID 167567743) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide is Cc1[nH]nc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nc2ccccc2o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cn1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1nnc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(F)cnn1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide?

The InChIKey is FMRSSZLGEIWELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4.C21H20N4O3.C21H19N3O4.C20H17FN4O3.2C20H19N5O3/c1-13-11-17(26-27(13)22-25-15-9-5-6-10-18(15)31-22)21(30)24-16(19(28)20(23)29)12-14-7-3-2-4-8-14;1-13-17(18(25-24-13)15-10-6-3-7-11-15)21(28)23-16(19(26)20(22)27)12-14-8-4-2-5-9-14;1-13-23-17(15-10-6-3-7-11-15)19(28-13)21(27)24-16(18(25)20(22)26)12-14-8-4-2-5-9-14;21-15-12-23-25(14-9-5-2-6-10-14)17(15)20(28)24-16(18(26)19(22)27)11-13-7-3-1-4-8-13;1-25-17(14-10-6-3-7-11-14)16(23-24-25)20(28)22-15(18(26)19(21)27)12-13-8-4-2-5-9-13;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/h2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);2-11,16H,12H2,1H3,(H2,22,27)(H,23,28)(H,24,25);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);1-10,12,16H,11H2,(H2,22,27)(H,24,28);2*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-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-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)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide has a molecular weight of 2306.43 g/mol, XLogP of 8.71, 42 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-fluoro-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide is sourced from PubChem (CID 167567743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).