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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide

C123H114F2N22O22 — CID 161022282

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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 161022282) has the molecular formula C123H114F2N22O22 and a molecular weight of 2290.39 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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
• PubChem CID: 161022282
• Molecular Formula: C123H114F2N22O22
• Molecular Weight: 2290.39 g/mol
• Exact Mass: 2288.84
• 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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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(-c2cccc(F)c2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(CC(C)C)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(F)cnn1-c1ccccc1
• InChI: InChI=1S/C22H19N5O4.C21H18FN3O4.C21H20N4O3.C21H19N3O4.C20H17FN4O3.C18H21N3O4/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;1-12-24-17(14-8-5-9-15(22)11-14)19(29-12)21(28)25-16(18(26)20(23)27)10-13-6-3-2-4-7-13;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;1-10(2)9-13(15(22)17(19)23)21-18(24)16-14(20-11(3)25-16)12-7-5-4-6-8-12/h2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);2-9,11,16H,10H2,1H3,(H2,23,27)(H,25,28);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);4-8,10,13H,9H2,1-3H3,(H2,19,23)(H,21,24)
• InChIKey: TYNNCUOIMIKCHD-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 704.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 42
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.39
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (CID 161022282) 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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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(-c2cccc(F)c2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(CC(C)C)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?

The InChIKey is TYNNCUOIMIKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4.C21H18FN3O4.C21H20N4O3.C21H19N3O4.C20H17FN4O3.C18H21N3O4/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;1-12-24-17(14-8-5-9-15(22)11-14)19(29-12)21(28)25-16(18(26)20(23)27)10-13-6-3-2-4-7-13;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;1-10(2)9-13(15(22)17(19)23)21-18(24)16-14(20-11(3)25-16)12-7-5-4-6-8-12/h2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);2-9,11,16H,10H2,1H3,(H2,23,27)(H,25,28);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);4-8,10,13H,9H2,1-3H3,(H2,19,23)(H,21,24).

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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-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-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 2290.39 g/mol, XLogP of 10.98, 42 rotatable bonds, 13 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)-1-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(3-fluorophenyl)-2-methyl-1,3-oxazole-5-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-(1-amino-5-methyl-1,2-dioxohexan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 161022282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).