N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide

C121H114FN21O23 — CID 158607608

About N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide

N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 158607608) has the molecular formula C121H114FN21O23 and a molecular weight of 2249.36 g/mol. Its IUPAC name is N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide
• PubChem CID: 158607608
• Molecular Formula: C121H114FN21O23
• Molecular Weight: 2249.36 g/mol
• Exact Mass: 2247.84
• IUPAC Name: N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide
• SMILES: CCCC[C@H](NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cccc(-c2nc(C)oc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1nc(-c2ccccc2F)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccn2)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cn1cnc(-c2ccccc2)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ocnc1-c1ccccc1
• InChI: InChI=1S/C21H18FN3O4.C21H20N4O4.C21H20N4O3.C20H18N4O4.C20H17N3O4.C18H21N3O4/c1-12-24-17(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;1-12-7-6-10-15(23-12)17-19(29-13(2)24-17)21(28)25-16(18(26)20(22)27)11-14-8-4-3-5-9-14;1-25-13-23-17(15-10-6-3-7-11-15)18(25)21(28)24-16(19(26)20(22)27)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(25)17(24)15(11-13-7-3-1-4-8-13)23-20(26)18-16(22-12-27-18)14-9-5-2-6-10-14;1-3-4-10-13(15(22)17(19)23)21-18(24)16-14(20-11(2)25-16)12-8-6-5-7-9-12/h2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);3-10,16H,11H2,1-2H3,(H2,22,27)(H,25,28);2-11,13,16H,12H2,1H3,(H2,22,27)(H,24,28);2-10,15H,11H2,1H3,(H2,21,26)(H,24,27);1-10,12,15H,11H2,(H2,21,25)(H,23,26);5-9,13H,3-4,10H2,1-2H3,(H2,19,23)(H,21,24)/t16-;;16-;2*15-;13-/m0.0000/s1
• InChIKey: HWKSVPYYIGNECD-GDRNBOPWSA-N
• XLogP: 10.59
• TPSA: 709.31 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2249.36
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide (CID 158607608) is N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide is CCCC[C@H](NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cccc(-c2nc(C)oc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1nc(-c2ccccc2F)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cc1nc(-c2ccccn2)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)C(N)=O)o1.Cn1cnc(-c2ccccc2)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O.NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ocnc1-c1ccccc1.

What is the InChIKey of N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

The InChIKey is HWKSVPYYIGNECD-GDRNBOPWSA-N. The full InChI is InChI=1S/C21H18FN3O4.C21H20N4O4.C21H20N4O3.C20H18N4O4.C20H17N3O4.C18H21N3O4/c1-12-24-17(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;1-12-7-6-10-15(23-12)17-19(29-13(2)24-17)21(28)25-16(18(26)20(22)27)11-14-8-4-3-5-9-14;1-25-13-23-17(15-10-6-3-7-11-15)18(25)21(28)24-16(19(26)20(22)27)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(25)17(24)15(11-13-7-3-1-4-8-13)23-20(26)18-16(22-12-27-18)14-9-5-2-6-10-14;1-3-4-10-13(15(22)17(19)23)21-18(24)16-14(20-11(2)25-16)12-8-6-5-7-9-12/h2-10,16H,11H2,1H3,(H2,23,27)(H,25,28);3-10,16H,11H2,1-2H3,(H2,22,27)(H,25,28);2-11,13,16H,12H2,1H3,(H2,22,27)(H,24,28);2-10,15H,11H2,1H3,(H2,21,26)(H,24,27);1-10,12,15H,11H2,(H2,21,25)(H,23,26);5-9,13H,3-4,10H2,1-2H3,(H2,19,23)(H,21,24)/t16-;;16-;2*15-;13-/m0.0000/s1.

What are the key properties of N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide?

N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 2249.36 g/mol, XLogP of 10.59, 43 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-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-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158607608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).