N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide

C121H106N22O19S3 — CID 167610768

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide (PubChem CID 167610768) has the molecular formula C121H106N22O19S3 and a molecular weight of 2268.51 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide
• PubChem CID: 167610768
• Molecular Formula: C121H106N22O19S3
• Molecular Weight: 2268.51 g/mol
• Exact Mass: 2266.72
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide
• SMILES: Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)s1.Cc1nc(-c2ccccn2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1onc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn[nH]c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nnsc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1cncn1-c1nc2ccccc2s1
• InChI: InChI=1S/C21H19N3O4.C21H19N3O3S.C20H18N4O4.C20H18N4O3.C20H16N4O2S.C19H16N4O3S/c1-13-17(18(24-28-13)15-10-6-3-7-11-15)21(27)23-16(19(25)20(22)26)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;1-12-23-16(14-9-5-6-10-22-14)18(28-12)20(27)24-15(17(25)19(21)26)11-13-7-3-2-4-8-13;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)15-12-22-24-17(15)14-9-5-2-6-10-14;25-12-15(10-14-6-2-1-3-7-14)22-19(26)17-11-21-13-24(17)20-23-16-8-4-5-9-18(16)27-20;20-18(25)16(24)14(11-12-7-3-1-4-8-12)21-19(26)15-17(27-23-22-15)13-9-5-2-6-10-13/h2-11,16H,12H2,1H3,(H2,22,26)(H,23,27);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);2-10,15H,11H2,1H3,(H2,21,26)(H,24,27);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27);1-9,11-13,15H,10H2,(H,22,26);1-10,14H,11H2,(H2,20,25)(H,21,26)
• InChIKey: KZYBFNVMAIWGBJ-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 655.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2268.51
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	12
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)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide (CID 167610768) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)s1.Cc1nc(-c2ccccn2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1onc(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn[nH]c1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nnsc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1cncn1-c1nc2ccccc2s1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

The InChIKey is KZYBFNVMAIWGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4.C21H19N3O3S.C20H18N4O4.C20H18N4O3.C20H16N4O2S.C19H16N4O3S/c1-13-17(18(24-28-13)15-10-6-3-7-11-15)21(27)23-16(19(25)20(22)26)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;1-12-23-16(14-9-5-6-10-22-14)18(28-12)20(27)24-15(17(25)19(21)26)11-13-7-3-2-4-8-13;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)15-12-22-24-17(15)14-9-5-2-6-10-14;25-12-15(10-14-6-2-1-3-7-14)22-19(26)17-11-21-13-24(17)20-23-16-8-4-5-9-18(16)27-20;20-18(25)16(24)14(11-12-7-3-1-4-8-12)21-19(26)15-17(27-23-22-15)13-9-5-2-6-10-13/h2-11,16H,12H2,1H3,(H2,22,26)(H,23,27);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);2-10,15H,11H2,1H3,(H2,21,26)(H,24,27);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27);1-9,11-13,15H,10H2,(H,22,26);1-10,14H,11H2,(H2,20,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide has a molecular weight of 2268.51 g/mol, XLogP of 12.09, 41 rotatable bonds, 12 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)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-1H-pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenylthiadiazole-4-carboxamide;3-(1,3-benzothiazol-2-yl)-N-(1-oxo-3-phenylpropan-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 167610768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).