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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide

C121H109FN22O20S — CID 158741113

About 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide (PubChem CID 158741113) has the molecular formula C121H109FN22O20S and a molecular weight of 2242.40 g/mol. Its IUPAC name is 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide
• PubChem CID: 158741113
• Molecular Formula: C121H109FN22O20S
• Molecular Weight: 2242.40 g/mol
• Exact Mass: 2240.79
• IUPAC Name: 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2cnccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)s1.Cc1cccc(-c2nc(C)oc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1ncn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccc(F)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccccn1
• InChI: InChI=1S/C22H20N2O3S.C21H20N4O4.C21H20N4O3.C20H16FN3O4.C19H16N4O4.C18H17N5O2/c1-14-12-17(20(28-14)16-10-6-3-7-11-16)22(27)24-18(19(25)21(23)26)13-15-8-4-2-5-9-15;1-12-7-6-10-15(23-12)17-19(29-13(2)24-17)21(28)25-16(18(26)20(22)27)11-14-8-4-3-5-9-14;1-14-18(25(13-23-14)16-10-6-3-7-11-16)21(28)24-17(19(26)20(22)27)12-15-8-4-2-5-9-15;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;20-18(25)17(24)15(10-12-6-2-1-3-7-12)22-19(26)13-11-27-23-16(13)14-8-4-5-9-21-14;1-13-9-16(23(22-13)17-11-19-7-8-20-17)18(25)21-15(12-24)10-14-5-3-2-4-6-14/h2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);3-10,16H,11H2,1-2H3,(H2,22,27)(H,25,28);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-9,11,16H,10H2,(H2,22,26)(H,23,27);1-9,11,15H,10H2,(H2,20,25)(H,22,26);2-9,11-12,15H,10H2,1H3,(H,21,25)
• InChIKey: IMHOWKBROLURAK-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 657.76 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.40
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

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-(4-fluorophenyl)-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide?

The IUPAC name of 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide (CID 158741113) is 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide?

The canonical SMILES for 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2cnccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)s1.Cc1cccc(-c2nc(C)oc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1ncn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccc(F)cc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ccccn1.

What is the InChIKey of 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide?

The InChIKey is IMHOWKBROLURAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S.C21H20N4O4.C21H20N4O3.C20H16FN3O4.C19H16N4O4.C18H17N5O2/c1-14-12-17(20(28-14)16-10-6-3-7-11-16)22(27)24-18(19(25)21(23)26)13-15-8-4-2-5-9-15;1-12-7-6-10-15(23-12)17-19(29-13(2)24-17)21(28)25-16(18(26)20(22)27)11-14-8-4-3-5-9-14;1-14-18(25(13-23-14)16-10-6-3-7-11-16)21(28)24-17(19(26)20(22)27)12-15-8-4-2-5-9-15;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;20-18(25)17(24)15(10-12-6-2-1-3-7-12)22-19(26)13-11-27-23-16(13)14-8-4-5-9-21-14;1-13-9-16(23(22-13)17-11-19-7-8-20-17)18(25)21-15(12-24)10-14-5-3-2-4-6-14/h2-12,18H,13H2,1H3,(H2,23,26)(H,24,27);3-10,16H,11H2,1-2H3,(H2,22,27)(H,25,28);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);1-9,11,16H,10H2,(H2,22,26)(H,23,27);1-9,11,15H,10H2,(H2,20,25)(H,22,26);2-9,11-12,15H,10H2,1H3,(H,21,25).

What are the key properties of 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide has a molecular weight of 2242.40 g/mol, XLogP of 10.96, 41 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenylimidazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-phenylthiophene-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-2-yl-1,2-oxazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyrazin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 158741113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).