N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide

C108H95F4N19O22S — CID 159536768

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide (PubChem CID 159536768) has the molecular formula C108H95F4N19O22S and a molecular weight of 2119.12 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide
• PubChem CID: 159536768
• Molecular Formula: C108H95F4N19O22S
• Molecular Weight: 2119.12 g/mol
• Exact Mass: 2117.66
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(C3CC3)n2)n1.Cc1nc(-c2cccc(F)c2)c(C(=O)NC(C=O)Cc2ccccc2)o1.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(-c2cnc3ccccc3n2)c(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)o1
• InChI: InChI=1S/C23H19N5O4.C22H18F3N3O7S.C22H22N6O3.C21H19N3O5.C20H17FN2O3/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;1-13-11-17(28(27-13)18-9-10-24-21(26-18)15-7-8-15)22(31)25-16(19(29)20(23)30)12-14-5-3-2-4-6-14;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;1-13-22-18(15-8-5-9-16(21)11-15)19(26-13)20(25)23-17(12-24)10-14-6-3-2-4-7-14/h2-10,12,17H,11H2,1H3,(H2,24,30)(H,28,31);2-10,16H,11H2,1H3,(H2,26,30)(H,28,31);2-6,9-11,15-16H,7-8,12H2,1H3,(H2,23,30)(H,25,31);2-10,16,25H,11H2,1H3,(H2,22,27)(H,24,28);2-9,11-12,17H,10H2,1H3,(H,23,25)
• InChIKey: MDRPSJUPNFTECX-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 640.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2119.12
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide (CID 159536768) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(C3CC3)n2)n1.Cc1nc(-c2cccc(F)c2)c(C(=O)NC(C=O)Cc2ccccc2)o1.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(-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)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide?

The InChIKey is MDRPSJUPNFTECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4.C22H18F3N3O7S.C22H22N6O3.C21H19N3O5.C20H17FN2O3/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;1-13-11-17(28(27-13)18-9-10-24-21(26-18)15-7-8-15)22(31)25-16(19(29)20(23)30)12-14-5-3-2-4-6-14;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;1-13-22-18(15-8-5-9-16(21)11-15)19(26-13)20(25)23-17(12-24)10-14-6-3-2-4-7-14/h2-10,12,17H,11H2,1H3,(H2,24,30)(H,28,31);2-10,16H,11H2,1H3,(H2,26,30)(H,28,31);2-6,9-11,15-16H,7-8,12H2,1H3,(H2,23,30)(H,25,31);2-10,16,25H,11H2,1H3,(H2,22,27)(H,24,28);2-9,11-12,17H,10H2,1H3,(H,23,25).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 2119.12 g/mol, XLogP of 10.59, 37 rotatable bonds, 10 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)-2-(2-cyclopropylpyrimidin-4-yl)-5-methylpyrazole-3-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;4-(3-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 159536768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).