N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

C121H120FN21O20 — CID 159384578

About N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide

N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (PubChem CID 159384578) has the molecular formula C121H120FN21O20 and a molecular weight of 2207.42 g/mol. Its IUPAC name is N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
• PubChem CID: 159384578
• Molecular Formula: C121H120FN21O20
• Molecular Weight: 2207.42 g/mol
• Exact Mass: 2205.90
• IUPAC Name: N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide
• SMILES: CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(c4ccccc4)c4cc(N(C)C)ccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC4(Cc5ccccc5C4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccc(F)cc4)nccc3=O)C(C)C)o2)c1
• InChI: InChI=1S/C34H36N6O4.C32H29N5O7.C28H29N5O5.C27H26FN5O4/c1-21(2)31(33(43)34-38-37-29(44-34)17-23-11-9-10-22(3)16-23)36-28(41)20-40-27-15-14-25(39(4)5)18-26(27)32(35-19-30(40)42)24-12-7-6-8-13-24;1-19(2)27(28(39)29-36-35-26(44-29)16-20-13-14-23-24(15-20)43-18-42-23)33-25(38)17-37-30(40)32(34-31(37)41,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-16(2)23(24(35)25-32-31-22(38-25)12-18-8-6-7-17(3)11-18)29-21(34)15-33-26(36)28(30-27(33)37)13-19-9-4-5-10-20(19)14-28;1-16(2)24(25(36)27-32-31-22(37-27)14-18-6-4-5-17(3)13-18)30-21(34)15-33-23(35)11-12-29-26(33)19-7-9-20(28)10-8-19/h6-16,18,21,31H,17,19-20H2,1-5H3,(H,36,41);3-15,19,27H,16-18H2,1-2H3,(H,33,38)(H,34,41);4-11,16,23H,12-15H2,1-3H3,(H,29,34)(H,30,37);4-13,16,24H,14-15H2,1-3H3,(H,30,34)/t31-;27-;23-;24-/m0000/s1
• InChIKey: LLIJHPBMCDXSHS-AGLFQSJJSA-N
• XLogP: 13.19
• TPSA: 528.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2207.42
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

The IUPAC name of N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide (CID 159384578) is N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide.

What is the SMILES notation for N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

The canonical SMILES for N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is CC(C)[C@H](NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)C(=O)c1nnc(Cc2ccc3c(c2)OCO3)o1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CN=C(c4ccccc4)c4cc(N(C)C)ccc43)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)NC4(Cc5ccccc5C4)C3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(-c4ccc(F)cc4)nccc3=O)C(C)C)o2)c1.

What is the InChIKey of N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

The InChIKey is LLIJHPBMCDXSHS-AGLFQSJJSA-N. The full InChI is InChI=1S/C34H36N6O4.C32H29N5O7.C28H29N5O5.C27H26FN5O4/c1-21(2)31(33(43)34-38-37-29(44-34)17-23-11-9-10-22(3)16-23)36-28(41)20-40-27-15-14-25(39(4)5)18-26(27)32(35-19-30(40)42)24-12-7-6-8-13-24;1-19(2)27(28(39)29-36-35-26(44-29)16-20-13-14-23-24(15-20)43-18-42-23)33-25(38)17-37-30(40)32(34-31(37)41,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-16(2)23(24(35)25-32-31-22(38-25)12-18-8-6-7-17(3)11-18)29-21(34)15-33-26(36)28(30-27(33)37)13-19-9-4-5-10-20(19)14-28;1-16(2)24(25(36)27-32-31-22(37-27)14-18-6-4-5-17(3)13-18)30-21(34)15-33-23(35)11-12-29-26(33)19-7-9-20(28)10-8-19/h6-16,18,21,31H,17,19-20H2,1-5H3,(H,36,41);3-15,19,27H,16-18H2,1-2H3,(H,33,38)(H,34,41);4-11,16,23H,12-15H2,1-3H3,(H,29,34)(H,30,37);4-13,16,24H,14-15H2,1-3H3,(H,30,34)/t31-;27-;23-;24-/m0000/s1.

What are the key properties of N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide?

N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide has a molecular weight of 2207.42 g/mol, XLogP of 13.19, 37 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-oxobutan-2-yl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide;2-[7-(dimethylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-1'-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 159384578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).