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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide

C98H86F2N20O16S — CID 165056629

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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide (PubChem CID 165056629) has the molecular formula C98H86F2N20O16S and a molecular weight of 1869.95 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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide
• PubChem CID: 165056629
• Molecular Formula: C98H86F2N20O16S
• Molecular Weight: 1869.95 g/mol
• Exact Mass: 1868.62
• 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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide
• SMILES: Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cn1cc(C(=O)NC(C=O)Cc2ccccc2)c(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1cccc(F)c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ncccn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc(F)c1
• InChI: InChI=1S/C21H21N5O3.C20H16FN3O4.C20H19N3O2.C19H15FN4O3S.C18H15N5O4/c1-13-7-6-10-16(23-13)18-15(12-26(2)25-18)21(29)24-17(19(27)20(22)28)11-14-8-4-3-5-9-14;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;1-23-13-18(19(22-23)16-10-6-3-7-11-16)20(25)21-17(14-24)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;19-16(25)15(24)13(9-11-5-2-1-3-6-11)22-18(26)12-10-27-23-14(12)17-20-7-4-8-21-17/h3-10,12,17H,11H2,1-2H3,(H2,22,28)(H,24,29);1-8,10-11,16H,9H2,(H2,22,26)(H,23,27);2-11,13-14,17H,12H2,1H3,(H,21,25);1-8,10,14H,9H2,(H2,21,26)(H,22,27);1-8,10,13H,9H2,(H2,19,25)(H,22,26)
• InChIKey: QNOQFOSBMJGKJO-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 555.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1869.95
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide (CID 165056629) 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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide is Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cn1cc(C(=O)NC(C=O)Cc2ccccc2)c(-c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1cccc(F)c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1conc1-c1ncccn1.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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide?

The InChIKey is QNOQFOSBMJGKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3.C20H16FN3O4.C20H19N3O2.C19H15FN4O3S.C18H15N5O4/c1-13-7-6-10-16(23-13)18-15(12-26(2)25-18)21(29)24-17(19(27)20(22)28)11-14-8-4-3-5-9-14;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;1-23-13-18(19(22-23)16-10-6-3-7-11-16)20(25)21-17(14-24)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;19-16(25)15(24)13(9-11-5-2-1-3-6-11)22-18(26)12-10-27-23-14(12)17-20-7-4-8-21-17/h3-10,12,17H,11H2,1-2H3,(H2,22,28)(H,24,29);1-8,10-11,16H,9H2,(H2,22,26)(H,23,27);2-11,13-14,17H,12H2,1H3,(H,21,25);1-8,10,14H,9H2,(H2,21,26)(H,22,27);1-8,10,13H,9H2,(H2,19,25)(H,22,26).

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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 1869.95 g/mol, XLogP of 7.96, 34 rotatable bonds, 9 hydrogen bond donors, and 28 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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyrimidin-2-yl-1,2-oxazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 165056629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).