N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide

C121H113N19O22 — CID 159911518

About N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide

N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 159911518) has the molecular formula C121H113N19O22 and a molecular weight of 2185.35 g/mol. Its IUPAC name is N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide
• PubChem CID: 159911518
• Molecular Formula: C121H113N19O22
• Molecular Weight: 2185.35 g/mol
• Exact Mass: 2183.83
• IUPAC Name: N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide
• SMILES: CC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ocnc1-c1ccccc1.CC[C@H](NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.CCc1nc(-c2ccccc2)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cn1ncc(-c2ccccc2)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]ncc1-c1ccccc1
• InChI: InChI=1S/C22H21N3O4.C21H20N4O3.C21H19N3O4.C21H18N2O4.C20H18N4O3.C16H17N3O4/c1-2-17-25-18(15-11-7-4-8-12-15)20(29-17)22(28)24-16(19(26)21(23)27)13-14-9-5-3-6-10-14;1-25-18(16(13-23-25)15-10-6-3-7-11-15)21(28)24-17(19(26)20(22)27)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;1-14(24)19(25)17(12-15-8-4-2-5-9-15)23-21(26)20-18(22-13-27-20)16-10-6-3-7-11-16;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)17-15(12-22-24-17)14-9-5-2-6-10-14;1-3-11(13(20)15(17)21)19-16(22)14-12(18-9(2)23-14)10-7-5-4-6-8-10/h3-12,16H,2,13H2,1H3,(H2,23,27)(H,24,28);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);2-11,13,17H,12H2,1H3,(H,23,26);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27);4-8,11H,3H2,1-2H3,(H2,17,21)(H,19,22)/t16-;17-;16-;17-;16-;11-/m000000/s1
• InChIKey: NXFWDHKSXOATSA-SJTOLUSESA-N
• XLogP: 11.35
• TPSA: 660.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.35
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide (CID 159911518) is N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide is CC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ocnc1-c1ccccc1.CC[C@H](NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.CCc1nc(-c2ccccc2)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccc2)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cn1ncc(-c2ccccc2)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]ncc1-c1ccccc1.

What is the InChIKey of N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

The InChIKey is NXFWDHKSXOATSA-SJTOLUSESA-N. The full InChI is InChI=1S/C22H21N3O4.C21H20N4O3.C21H19N3O4.C21H18N2O4.C20H18N4O3.C16H17N3O4/c1-2-17-25-18(15-11-7-4-8-12-15)20(29-17)22(28)24-16(19(26)21(23)27)13-14-9-5-3-6-10-14;1-25-18(16(13-23-25)15-10-6-3-7-11-15)21(28)24-17(19(26)20(22)27)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;1-14(24)19(25)17(12-15-8-4-2-5-9-15)23-21(26)20-18(22-13-27-20)16-10-6-3-7-11-16;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)17-15(12-22-24-17)14-9-5-2-6-10-14;1-3-11(13(20)15(17)21)19-16(22)14-12(18-9(2)23-14)10-7-5-4-6-8-10/h3-12,16H,2,13H2,1H3,(H2,23,27)(H,24,28);2-11,13,17H,12H2,1H3,(H2,22,27)(H,24,28);2-11,16H,12H2,1H3,(H2,22,26)(H,24,27);2-11,13,17H,12H2,1H3,(H,23,26);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27);4-8,11H,3H2,1-2H3,(H2,17,21)(H,19,22)/t16-;17-;16-;17-;16-;11-/m000000/s1.

What are the key properties of N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 2185.35 g/mol, XLogP of 11.35, 42 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 159911518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).