11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate

C244H268F3N17O24 — CID 160876993

About 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate

11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate (PubChem CID 160876993) has the molecular formula C244H268F3N17O24 and a molecular weight of 3879.92 g/mol. Its IUPAC name is 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate.

Molecular Properties

• Compound Name: 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate
• PubChem CID: 160876993
• Molecular Formula: C244H268F3N17O24
• Molecular Weight: 3879.92 g/mol
• Exact Mass: 3877.02
• IUPAC Name: 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate
• SMILES: CCC(C)(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1.CCC(C)(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc4c(c3)c3ccccc3n4C)o2)cc1.CCC(C)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1.CCC(C)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc5c(c4)c4ccccc4n5C)o3)cc2)cc1.CCC(C)(CC(C)(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2)cc1)C(=O)OCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1
• InChI: InChI=1S/C80H84F3N5O8.C44H45N3O4.C43H51N3O4.C39H41N3O4.C38H47N3O4/c1-5-79(4,57-78(2,3)76(89)93-55-23-12-10-8-6-7-9-11-21-53-91-70-49-41-60(42-50-70)58-29-33-62(34-30-58)72-84-86-74(95-72)64-37-45-66(46-38-64)80(81,82)83)77(90)94-56-24-14-13-22-54-92-71-51-43-61(44-52-71)59-31-35-63(36-32-59)73-85-87-75(96-73)65-39-47-69(48-40-65)88(67-25-17-15-18-26-67)68-27-19-16-20-28-68;1-4-44(2,3)43(48)50-32-14-6-5-13-31-49-40-29-25-34(26-30-40)33-19-21-35(22-20-33)41-45-46-42(51-41)36-23-27-39(28-24-36)47(37-15-9-7-10-16-37)38-17-11-8-12-18-38;1-4-43(2,3)42(47)49-33-19-11-9-7-5-6-8-10-18-32-48-39-30-26-35(27-31-39)41-45-44-40(50-41)34-24-28-38(29-25-34)46(36-20-14-12-15-21-36)37-22-16-13-17-23-37;1-5-39(2,3)38(43)45-25-11-7-6-10-24-44-31-21-18-28(19-22-31)27-14-16-29(17-15-27)36-40-41-37(46-36)30-20-23-35-33(26-30)32-12-8-9-13-34(32)42(35)4;1-5-38(2,3)37(42)44-26-16-12-10-8-6-7-9-11-15-25-43-30-22-19-28(20-23-30)35-39-40-36(45-35)29-21-24-34-32(27-29)31-17-13-14-18-33(31)41(34)4/h15-20,25-52H,5-14,21-24,53-57H2,1-4H3;7-12,15-30H,4-6,13-14,31-32H2,1-3H3;12-17,20-31H,4-11,18-19,32-33H2,1-3H3;8-9,12-23,26H,5-7,10-11,24-25H2,1-4H3;13-14,17-24,27H,5-12,15-16,25-26H2,1-4H3
• InChIKey: SMNHFDFPCZCVOB-UHFFFAOYSA-N
• XLogP: 64.14
• TPSA: 466.28 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 101
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3879.92
LogP ≤ 5	64.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate?

The IUPAC name of 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate (CID 160876993) is 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate.

What is the SMILES notation for 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate?

The canonical SMILES for 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate is CCC(C)(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)o2)cc1.CCC(C)(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2nnc(-c3ccc4c(c3)c3ccccc3n4C)o2)cc1.CCC(C)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1.CCC(C)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc5c(c4)c4ccccc4n5C)o3)cc2)cc1.CCC(C)(CC(C)(C)C(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(C(F)(F)F)cc4)o3)cc2)cc1)C(=O)OCCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)o3)cc2)cc1.

What is the InChIKey of 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate?

The InChIKey is SMNHFDFPCZCVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H84F3N5O8.C44H45N3O4.C43H51N3O4.C39H41N3O4.C38H47N3O4/c1-5-79(4,57-78(2,3)76(89)93-55-23-12-10-8-6-7-9-11-21-53-91-70-49-41-60(42-50-70)58-29-33-62(34-30-58)72-84-86-74(95-72)64-37-45-66(46-38-64)80(81,82)83)77(90)94-56-24-14-13-22-54-92-71-51-43-61(44-52-71)59-31-35-63(36-32-59)73-85-87-75(96-73)65-39-47-69(48-40-65)88(67-25-17-15-18-26-67)68-27-19-16-20-28-68;1-4-44(2,3)43(48)50-32-14-6-5-13-31-49-40-29-25-34(26-30-40)33-19-21-35(22-20-33)41-45-46-42(51-41)36-23-27-39(28-24-36)47(37-15-9-7-10-16-37)38-17-11-8-12-18-38;1-4-43(2,3)42(47)49-33-19-11-9-7-5-6-8-10-18-32-48-39-30-26-35(27-31-39)41-45-44-40(50-41)34-24-28-38(29-25-34)46(36-20-14-12-15-21-36)37-22-16-13-17-23-37;1-5-39(2,3)38(43)45-25-11-7-6-10-24-44-31-21-18-28(19-22-31)27-14-16-29(17-15-27)36-40-41-37(46-36)30-20-23-35-33(26-30)32-12-8-9-13-34(32)42(35)4;1-5-38(2,3)37(42)44-26-16-12-10-8-6-7-9-11-15-25-43-30-22-19-28(20-23-30)35-39-40-36(45-35)29-21-24-34-32(27-29)31-17-13-14-18-33(31)41(34)4/h15-20,25-52H,5-14,21-24,53-57H2,1-4H3;7-12,15-30H,4-6,13-14,31-32H2,1-3H3;12-17,20-31H,4-11,18-19,32-33H2,1-3H3;8-9,12-23,26H,5-7,10-11,24-25H2,1-4H3;13-14,17-24,27H,5-12,15-16,25-26H2,1-4H3.

What are the key properties of 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate?

11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate has a molecular weight of 3879.92 g/mol, XLogP of 64.14, 101 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-(9-methylcarbazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;11-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenoxy]undecyl 2,2-dimethylbutanoate;6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl 2,2-dimethylbutanoate;1-O-[6-[4-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]hexyl] 5-O-[11-[4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]undecyl] 2-ethyl-2,4,4-trimethylpentanedioate is sourced from PubChem (CID 160876993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).