N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate

C130H114F4N20O28S — CID 167618901

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate (PubChem CID 167618901) has the molecular formula C130H114F4N20O28S and a molecular weight of 2512.51 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate
• PubChem CID: 167618901
• Molecular Formula: C130H114F4N20O28S
• Molecular Weight: 2512.51 g/mol
• Exact Mass: 2510.78
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate
• SMILES: Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(O)cc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2C)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2F)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2cnc3ccccc3n2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1
• InChI: InChI=1S/C23H19N5O4.C22H18F3N3O7S.C22H21N3O4.C21H18FN3O4.C21H19N3O5.C21H19N3O4/c1-13-26-19(18-12-25-15-9-5-6-10-16(15)27-18)21(32-13)23(31)28-17(20(29)22(24)30)11-14-7-3-2-4-8-14;1-12-27-17(14-5-3-2-4-6-14)19(34-12)21(31)28-16(18(29)20(26)30)11-13-7-9-15(10-8-13)35-36(32,33)22(23,24)25;1-13-8-6-7-11-16(13)18-20(29-14(2)24-18)22(28)25-17(19(26)21(23)27)12-15-9-4-3-5-10-15;1-12-24-17(14-9-5-6-10-15(14)22)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-3-2-4-8-13;1-12-23-17(14-5-3-2-4-6-14)19(29-12)21(28)24-16(18(26)20(22)27)11-13-7-9-15(25)10-8-13;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/h2-10,12,17H,11H2,1H3,(H2,24,30)(H,28,31);2-10,16H,11H2,1H3,(H2,26,30)(H,28,31);3-11,17H,12H2,1-2H3,(H2,23,27)(H,25,28);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);2-10,16,25H,11H2,1H3,(H2,22,27)(H,24,28);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27)
• InChIKey: MDPRKJNEMGGJLK-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 781.12 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2512.51
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate (CID 167618901) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate is Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(O)cc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2C)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2F)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2cnc3ccccc3n2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate?

The InChIKey is MDPRKJNEMGGJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4.C22H18F3N3O7S.C22H21N3O4.C21H18FN3O4.C21H19N3O5.C21H19N3O4/c1-13-26-19(18-12-25-15-9-5-6-10-16(15)27-18)21(32-13)23(31)28-17(20(29)22(24)30)11-14-7-3-2-4-8-14;1-12-27-17(14-5-3-2-4-6-14)19(34-12)21(31)28-16(18(29)20(26)30)11-13-7-9-15(10-8-13)35-36(32,33)22(23,24)25;1-13-8-6-7-11-16(13)18-20(29-14(2)24-18)22(28)25-17(19(26)21(23)27)12-15-9-4-3-5-10-15;1-12-24-17(14-9-5-6-10-15(14)22)19(29-12)21(28)25-16(18(26)20(23)27)11-13-7-3-2-4-8-13;1-12-23-17(14-5-3-2-4-6-14)19(29-12)21(28)24-16(18(26)20(22)27)11-13-7-9-15(25)10-8-13;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/h2-10,12,17H,11H2,1H3,(H2,24,30)(H,28,31);2-10,16H,11H2,1H3,(H2,26,30)(H,28,31);3-11,17H,12H2,1-2H3,(H2,23,27)(H,25,28);2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);2-10,16,25H,11H2,1H3,(H2,22,27)(H,24,28);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate has a molecular weight of 2512.51 g/mol, XLogP of 12.60, 44 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(2-methylphenyl)-1,3-oxazole-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)-2-methyl-4-quinoxalin-2-yl-1,3-oxazole-5-carboxamide;N-[4-amino-1-(4-hydroxyphenyl)-3,4-dioxobutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;[4-[4-amino-2-[(2-methyl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-3,4-dioxobutyl]phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 167618901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).