2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide

C139H151F9N28O27 — CID 157461648

IUPAC2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)CN1C(=O)C(c2ccccc2)N(C)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)[nH]n(Cc4ccccc4)c3=O)C(C)C)o2)c1
InChIInChI=1S/2C33H37F3N6O6.C27H26F3N5O5.C26H28N6O5.C20H23N5O5/c2*1-21(2)28(29(44)30-38-27(48-39-30)19-23-9-6-10-24(17-23)33(34,35)36)37-26(43)20-42-31(45)25(18-22-7-4-3-5-8-22)41(32(42)46)12-11-40-13-15-47-16-14-40;1-15(2)21(23(37)24-32-20(40-33-24)13-16-8-7-11-18(12-16)27(28,29)30)31-19(36)14-35-25(38)22(34(3)26(35)39)17-9-5-4-6-10-17;1-16(2)22(23(34)24-29-28-21(37-24)13-19-11-7-8-17(3)12-19)27-20(33)15-31-25(35)30-32(26(31)36)14-18-9-5-4-6-10-18;1-11(2)17(22-14(26)10-25-16(27)9-21-20(25)29)18(28)19-24-23-15(30-19)8-13-6-4-5-12(3)7-13/h2*3-10,17,21,25,28H,11-16,18-20H2,1-2H3,(H,37,43);4-12,15,21-22H,13-14H2,1-3H3,(H,31,36);4-12,16,22H,13-15H2,1-3H3,(H,27,33)(H,30,35);4-7,11,17H,8-10H2,1-3H3,(H,21,29)(H,22,26)/t25-,28+;25-,28-;21-,22?;22-;17-/m10000/s1
InChIKeyBTZPEWFGTYYGFU-YWTQLYDFSA-N
MW2816.89 g/mol
LogP12.60
Rot. Bonds53

About 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide

2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide (PubChem CID 157461648) has the molecular formula C139H151F9N28O27 and a molecular weight of 2816.89 g/mol. Its IUPAC name is 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide
PubChem CID157461648
Molecular FormulaC139H151F9N28O27
Molecular Weight2816.89 g/mol
Exact Mass2815.12
IUPAC Name2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide
SMILESCC(C)[C@H](NC(=O)CN1C(=O)C(c2ccccc2)N(C)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)[nH]n(Cc4ccccc4)c3=O)C(C)C)o2)c1
InChIInChI=1S/2C33H37F3N6O6.C27H26F3N5O5.C26H28N6O5.C20H23N5O5/c2*1-21(2)28(29(44)30-38-27(48-39-30)19-23-9-6-10-24(17-23)33(34,35)36)37-26(43)20-42-31(45)25(18-22-7-4-3-5-8-22)41(32(42)46)12-11-40-13-15-47-16-14-40;1-15(2)21(23(37)24-32-20(40-33-24)13-16-8-7-11-18(12-16)27(28,29)30)31-19(36)14-35-25(38)22(34(3)26(35)39)17-9-5-4-6-10-17;1-16(2)22(23(34)24-29-28-21(37-24)13-19-11-7-8-17(3)12-19)27-20(33)15-31-25(35)30-32(26(31)36)14-18-9-5-4-6-10-18;1-11(2)17(22-14(26)10-25-16(27)9-21-20(25)29)18(28)19-24-23-15(30-19)8-13-6-4-5-12(3)7-13/h2*3-10,17,21,25,28H,11-16,18-20H2,1-2H3,(H,37,43);4-12,15,21-22H,13-14H2,1-3H3,(H,31,36);4-12,16,22H,13-15H2,1-3H3,(H,27,33)(H,30,35);4-7,11,17H,8-10H2,1-3H3,(H,21,29)(H,22,26)/t25-,28+;25-,28-;21-,22?;22-;17-/m10000/s1
InChIKeyBTZPEWFGTYYGFU-YWTQLYDFSA-N
XLogP12.60
TPSA681.45 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds53
Heavy Atoms203
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002816.89
LogP ≤ 512.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide?
The IUPAC name of 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide (CID 157461648) is 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide.
What is the SMILES notation for 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide?
The canonical SMILES for 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide is CC(C)[C@H](NC(=O)CN1C(=O)C(c2ccccc2)N(C)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.CC(C)[C@H](NC(=O)CN1C(=O)[C@H](Cc2ccccc2)N(CCN2CCOCC2)C1=O)C(=O)c1noc(Cc2cccc(C(F)(F)F)c2)n1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)CN3C(=O)CNC3=O)C(C)C)o2)c1.Cc1cccc(Cc2nnc(C(=O)[C@@H](NC(=O)Cn3c(=O)[nH]n(Cc4ccccc4)c3=O)C(C)C)o2)c1.
What is the InChIKey of 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide?
The InChIKey is BTZPEWFGTYYGFU-YWTQLYDFSA-N. The full InChI is InChI=1S/2C33H37F3N6O6.C27H26F3N5O5.C26H28N6O5.C20H23N5O5/c2*1-21(2)28(29(44)30-38-27(48-39-30)19-23-9-6-10-24(17-23)33(34,35)36)37-26(43)20-42-31(45)25(18-22-7-4-3-5-8-22)41(32(42)46)12-11-40-13-15-47-16-14-40;1-15(2)21(23(37)24-32-20(40-33-24)13-16-8-7-11-18(12-16)27(28,29)30)31-19(36)14-35-25(38)22(34(3)26(35)39)17-9-5-4-6-10-17;1-16(2)22(23(34)24-29-28-21(37-24)13-19-11-7-8-17(3)12-19)27-20(33)15-31-25(35)30-32(26(31)36)14-18-9-5-4-6-10-18;1-11(2)17(22-14(26)10-25-16(27)9-21-20(25)29)18(28)19-24-23-15(30-19)8-13-6-4-5-12(3)7-13/h2*3-10,17,21,25,28H,11-16,18-20H2,1-2H3,(H,37,43);4-12,15,21-22H,13-14H2,1-3H3,(H,31,36);4-12,16,22H,13-15H2,1-3H3,(H,27,33)(H,30,35);4-7,11,17H,8-10H2,1-3H3,(H,21,29)(H,22,26)/t25-,28+;25-,28-;21-,22?;22-;17-/m10000/s1.
What are the key properties of 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide?
2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide has a molecular weight of 2816.89 g/mol, XLogP of 12.60, 53 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-[(4S)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-[(4R)-4-benzyl-3-(2-morpholin-4-ylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide;2-(2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-1-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-oxobutan-2-yl]acetamide;2-(3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(2S)-3-methyl-1-oxo-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]acetamide is sourced from PubChem (CID 157461648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).