N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide

C133H125N27O19S3 — CID 165093608

About N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide

N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide (PubChem CID 165093608) has the molecular formula C133H125N27O19S3 and a molecular weight of 2501.83 g/mol. Its IUPAC name is N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide
• PubChem CID: 165093608
• Molecular Formula: C133H125N27O19S3
• Molecular Weight: 2501.83 g/mol
• Exact Mass: 2499.88
• IUPAC Name: N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide
• SMILES: Cc1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)s1.Cc1nnn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(CC(C)(C)C)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ncc(-c2ccccc2)s1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1n[nH]c2ccccc12.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ncc(-c2ccccc2)s1
• InChI: InChI=1S/C26H23N5O3S.C24H22N6O3.C23H19N5O3S.C21H19N3O3S.C20H19N5O3.C19H23N3O4/c32-23(25(34)29-19-11-12-19)20(13-17-7-3-1-4-8-17)30-24(33)21-14-27-16-31(21)26-28-15-22(35-26)18-9-5-2-6-10-18;31-21(24(33)26-16-10-11-16)19(12-15-6-2-1-3-7-15)27-23(32)20-13-25-14-30(20)22-17-8-4-5-9-18(17)28-29-22;24-21(30)20(29)17(11-15-7-3-1-4-8-15)27-22(31)18-12-25-14-28(18)23-26-13-19(32-23)16-9-5-2-6-10-16;1-13-23-17(19(28-13)15-10-6-3-7-11-15)21(27)24-16(18(25)20(22)26)12-14-8-4-2-5-9-14;1-13-17(25(24-23-13)15-10-6-3-7-11-15)20(28)22-16(18(26)19(21)27)12-14-8-4-2-5-9-14;1-11-14(16(26-22-11)12-8-6-5-7-9-12)18(25)21-13(10-19(2,3)4)15(23)17(20)24/h1-10,14-16,19-20H,11-13H2,(H,29,34)(H,30,33);1-9,13-14,16,19H,10-12H2,(H,26,33)(H,27,32)(H,28,29);1-10,12-14,17H,11H2,(H2,24,30)(H,27,31);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);2-11,16H,12H2,1H3,(H2,21,27)(H,22,28);5-9,13H,10H2,1-4H3,(H2,20,24)(H,21,25)
• InChIKey: XCYYZFRXZDXKMG-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 685.13 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2501.83
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

The IUPAC name of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide (CID 165093608) is N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide.

What is the SMILES notation for N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

The canonical SMILES for N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide is Cc1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)s1.Cc1nnn(-c2ccccc2)c1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1noc(-c2ccccc2)c1C(=O)NC(CC(C)(C)C)C(=O)C(N)=O.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ncc(-c2ccccc2)s1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1n[nH]c2ccccc12.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cncn1-c1ncc(-c2ccccc2)s1.

What is the InChIKey of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

The InChIKey is XCYYZFRXZDXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S.C24H22N6O3.C23H19N5O3S.C21H19N3O3S.C20H19N5O3.C19H23N3O4/c32-23(25(34)29-19-11-12-19)20(13-17-7-3-1-4-8-17)30-24(33)21-14-27-16-31(21)26-28-15-22(35-26)18-9-5-2-6-10-18;31-21(24(33)26-16-10-11-16)19(12-15-6-2-1-3-7-15)27-23(32)20-13-25-14-30(20)22-17-8-4-5-9-18(17)28-29-22;24-21(30)20(29)17(11-15-7-3-1-4-8-15)27-22(31)18-12-25-14-28(18)23-26-13-19(32-23)16-9-5-2-6-10-16;1-13-23-17(19(28-13)15-10-6-3-7-11-15)21(27)24-16(18(25)20(22)26)12-14-8-4-2-5-9-14;1-13-17(25(24-23-13)15-10-6-3-7-11-15)20(28)22-16(18(26)19(21)27)12-14-8-4-2-5-9-14;1-11-14(16(26-22-11)12-8-6-5-7-9-12)18(25)21-13(10-19(2,3)4)15(23)17(20)24/h1-10,14-16,19-20H,11-13H2,(H,29,34)(H,30,33);1-9,13-14,16,19H,10-12H2,(H,26,33)(H,27,32)(H,28,29);1-10,12-14,17H,11H2,(H2,24,30)(H,27,31);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);2-11,16H,12H2,1H3,(H2,21,27)(H,22,28);5-9,13H,10H2,1-4H3,(H2,20,24)(H,21,25).

What are the key properties of N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide?

N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide has a molecular weight of 2501.83 g/mol, XLogP of 13.24, 45 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-5,5-dimethyl-1,2-dioxohexan-3-yl)-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(1H-indazol-3-yl)imidazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-(5-phenyl-1,3-thiazol-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 165093608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).