2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione

C130H110F4N12O26S4 — CID 158637345

About 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione

2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 158637345) has the molecular formula C130H110F4N12O26S4 and a molecular weight of 2460.63 g/mol. Its IUPAC name is 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 158637345
• Molecular Formula: C130H110F4N12O26S4
• Molecular Weight: 2460.63 g/mol
• Exact Mass: 2458.65
• IUPAC Name: 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione
• SMILES: CCOC(Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1.O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1.O=C1NC(=O)C(Cc2ccc3oc(Cc4ccc5ccccc5c4)nc3c2)S1.O=C1NC(=O)C(Cc2cnc3cc(OCc4ccccc4)ccc3c2)S1.O=c1[nH]c(=O)n(Cc2ccc(OC/C=C\COc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1
• InChI: InChI=1S/C25H25NO5.C22H20N4O8.C22H16N2O3S.C21H16FNO3S.C20H17F3N2O4S.C20H16N2O3S/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26;27-19-23-21(29)33-25(19)13-15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)14-26-20(28)24-22(30)34-26;25-21-19(28-22(26)24-21)11-14-6-8-18-17(10-14)23-20(27-18)12-13-5-7-15-3-1-2-4-16(15)9-13;22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19;1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23;23-19-18(26-20(24)22-19)9-14-8-15-6-7-16(10-17(15)21-11-14)25-12-13-4-2-1-3-5-13/h3-14,24H,2,15-17H2,1H3,(H,27,28);1-10H,11-14H2,(H,23,27,29)(H,24,28,30);1-10,19H,11-12H2,(H,24,25,26);1-9,11,19H,10,12H2,(H,23,24,25);2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28);1-8,10-11,18H,9,12H2,(H,22,23,24)/b;2-1-
• InChIKey: HZXXTHOAANQPCV-FLMYPBEOSA-N
• XLogP: 21.89
• TPSA: 503.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 39
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2460.63
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_666_B(3)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione (CID 158637345) is 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione is CCOC(Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1.O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1.O=C1NC(=O)C(Cc2ccc3oc(Cc4ccc5ccccc5c4)nc3c2)S1.O=C1NC(=O)C(Cc2cnc3cc(OCc4ccccc4)ccc3c2)S1.O=c1[nH]c(=O)n(Cc2ccc(OC/C=C\COc3ccc(Cn4oc(=O)[nH]c4=O)cc3)cc2)o1.

What is the InChIKey of 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is HZXXTHOAANQPCV-FLMYPBEOSA-N. The full InChI is InChI=1S/C25H25NO5.C22H20N4O8.C22H16N2O3S.C21H16FNO3S.C20H17F3N2O4S.C20H16N2O3S/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26;27-19-23-21(29)33-25(19)13-15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)14-26-20(28)24-22(30)34-26;25-21-19(28-22(26)24-21)11-14-6-8-18-17(10-14)23-20(27-18)12-13-5-7-15-3-1-2-4-16(15)9-13;22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19;1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23;23-19-18(26-20(24)22-19)9-14-8-15-6-7-16(10-17(15)21-11-14)25-12-13-4-2-1-3-5-13/h3-14,24H,2,15-17H2,1H3,(H,27,28);1-10H,11-14H2,(H,23,27,29)(H,24,28,30);1-10,19H,11-12H2,(H,24,25,26);1-9,11,19H,10,12H2,(H,23,24,25);2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28);1-8,10-11,18H,9,12H2,(H,22,23,24)/b;2-1-;;;;.

What are the key properties of 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione?

2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 2460.63 g/mol, XLogP of 21.89, 39 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;2-ethoxy-3-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158637345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).