[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate

C163H144N24O50 — CID 159407529

About [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate

[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 159407529) has the molecular formula C163H144N24O50 and a molecular weight of 3239.06 g/mol. Its IUPAC name is [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

• Compound Name: [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate
• PubChem CID: 159407529
• Molecular Formula: C163H144N24O50
• Molecular Weight: 3239.06 g/mol
• Exact Mass: 3236.95
• IUPAC Name: [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate
• SMILES: C=CC(=O)OCCCCOC(=O)CCc1nc(-c2cccc(-c3noc(-c4cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCCCOC(=O)C=C)n7)c6)no5)cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCCCOC(=O)C=C)n7)c6)no5)c4)n3)c2)no1.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCOC(=O)CCc1nc(-c2cccc(-c3noc(-c4cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCOC(=O)C=C)n7)c6)no5)cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCOC(=O)C=C)n7)c6)no5)c4)n3)c2)no1
• InChI: InChI=1S/C66H60N12O18.C60H48N12O18.C37H36O14/c1-4-52(79)85-28-7-10-31-88-55(82)25-22-49-67-58(73-91-49)40-16-13-19-43(34-40)61-70-64(94-76-61)46-37-47(65-71-62(77-95-65)44-20-14-17-41(35-44)59-68-50(92-74-59)23-26-56(83)89-32-11-8-29-86-53(80)5-2)39-48(38-46)66-72-63(78-96-66)45-21-15-18-42(36-45)60-69-51(93-75-60)24-27-57(84)90-33-12-9-30-87-54(81)6-3;1-4-46(73)79-22-25-82-49(76)19-16-43-61-52(67-85-43)34-10-7-13-37(28-34)55-64-58(88-70-55)40-31-41(59-65-56(71-89-59)38-14-8-11-35(29-38)53-62-44(86-68-53)17-20-50(77)83-26-23-80-47(74)5-2)33-42(32-40)60-66-57(72-90-60)39-15-9-12-36(30-39)54-63-45(87-69-54)18-21-51(78)84-27-24-81-48(75)6-3;1-4-32(38)44-20-6-8-22-46-36(42)49-28-14-10-26(11-15-28)34(40)48-30-18-19-31(25(3)24-30)51-35(41)27-12-16-29(17-13-27)50-37(43)47-23-9-7-21-45-33(39)5-2/h4-6,13-21,34-39H,1-3,7-12,22-33H2;4-15,28-33H,1-3,16-27H2;4-5,10-19,24H,1-2,6-9,20-23H2,3H3
• InChIKey: LODPJRHPBLQWHU-UHFFFAOYSA-N
• XLogP: 24.03
• TPSA: 958.90 Ų
• H-Bond Acceptors: 74
• Rotatable Bonds: 84
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3239.06
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	74

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate?

The IUPAC name of [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate (CID 159407529) is [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate.

What is the SMILES notation for [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate?

The canonical SMILES for [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate is C=CC(=O)OCCCCOC(=O)CCc1nc(-c2cccc(-c3noc(-c4cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCCCOC(=O)C=C)n7)c6)no5)cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCCCOC(=O)C=C)n7)c6)no5)c4)n3)c2)no1.C=CC(=O)OCCCCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OCCCCOC(=O)C=C)cc3)c(C)c2)cc1.C=CC(=O)OCCOC(=O)CCc1nc(-c2cccc(-c3noc(-c4cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCOC(=O)C=C)n7)c6)no5)cc(-c5nc(-c6cccc(-c7noc(CCC(=O)OCCOC(=O)C=C)n7)c6)no5)c4)n3)c2)no1.

What is the InChIKey of [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate?

The InChIKey is LODPJRHPBLQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N12O18.C60H48N12O18.C37H36O14/c1-4-52(79)85-28-7-10-31-88-55(82)25-22-49-67-58(73-91-49)40-16-13-19-43(34-40)61-70-64(94-76-61)46-37-47(65-71-62(77-95-65)44-20-14-17-41(35-44)59-68-50(92-74-59)23-26-56(83)89-32-11-8-29-86-53(80)5-2)39-48(38-46)66-72-63(78-96-66)45-21-15-18-42(36-45)60-69-51(93-75-60)24-27-57(84)90-33-12-9-30-87-54(81)6-3;1-4-46(73)79-22-25-82-49(76)19-16-43-61-52(67-85-43)34-10-7-13-37(28-34)55-64-58(88-70-55)40-31-41(59-65-56(71-89-59)38-14-8-11-35(29-38)53-62-44(86-68-53)17-20-50(77)83-26-23-80-47(74)5-2)33-42(32-40)60-66-57(72-90-60)39-15-9-12-36(30-39)54-63-45(87-69-54)18-21-51(78)84-27-24-81-48(75)6-3;1-4-32(38)44-20-6-8-22-46-36(42)49-28-14-10-26(11-15-28)34(40)48-30-18-19-31(25(3)24-30)51-35(41)27-12-16-29(17-13-27)50-37(43)47-23-9-7-21-45-33(39)5-2/h4-6,13-21,34-39H,1-3,7-12,22-33H2;4-15,28-33H,1-3,16-27H2;4-5,10-19,24H,1-2,6-9,20-23H2,3H3.

What are the key properties of [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate?

[3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 3239.06 g/mol, XLogP of 24.03, 84 rotatable bonds, 0 hydrogen bond donors, and 74 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoate;4-prop-2-enoyloxybutyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(4-prop-2-enoyloxybutoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate;2-prop-2-enoyloxyethyl 3-[3-[3-[5-[3,5-bis[3-[3-[5-[3-oxo-3-(2-prop-2-enoyloxyethoxy)propyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 159407529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).