[4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate

C243H312N24O28S2 — CID 163547640

IUPAC[4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate
SMILESCCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C(C)C)s4)ccn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C5CC5)n4)ccn3)CC2)C1.CCc1nc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(CC)C4)CC3)c2)co1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cc(C(C)C)on5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5nnc(C6CC6)o5)c4)(CC2)CC3)cc1C
InChIInChI=1S/C41H52N4O5.C41H52N4O4S.C41H54N4O4S.C40H50N4O5.2C40H52N4O5/c1-4-28-23-44(24-28)39(47)50-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)34-25-49-37(43-34)29-5-6-29)26-40-14-17-41(18-15-40,19-16-40)32-9-12-35(48-3)27(2)21-32;1-4-28-24-44(25-28)39(47)49-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)35-23-43-37(50-35)29-5-6-29)26-40-14-17-41(18-15-40,19-16-40)32-9-12-34(48-3)27(2)21-32;1-6-29-24-44(25-29)39(47)49-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)35-23-43-37(50-35)27(2)3)26-40-14-17-41(18-15-40,19-16-40)32-9-12-34(48-5)28(4)21-32;1-26-23-43(24-26)38(46)48-33-12-9-29(10-13-33)37(45)44(32-6-4-5-30(22-32)36-42-41-35(49-36)28-7-8-28)25-39-15-18-40(19-16-39,20-17-39)31-11-14-34(47-3)27(2)21-31;1-26(2)35-22-33(42-49-35)30-12-19-41-36(21-30)44(37(45)29-6-9-32(10-7-29)48-38(46)43-23-27(3)24-43)25-39-13-16-40(17-14-39,18-15-39)31-8-11-34(47-5)28(4)20-31;1-5-28-23-43(24-28)38(46)49-32-10-7-29(8-11-32)37(45)44(35-22-30(13-20-41-35)33-25-48-36(6-2)42-33)26-39-14-17-40(18-15-39,19-16-39)31-9-12-34(47-4)27(3)21-31/h9,12-13,20-22,25,28-30,33H,4-8,10-11,14-19,23-24,26H2,1-3H3;9,12-13,20-23,28-30,33H,4-8,10-11,14-19,24-26H2,1-3H3;9,12-13,20-23,27,29-30,33H,6-8,10-11,14-19,24-26H2,1-5H3;4-6,11,14,21-22,26,28-29,33H,7-10,12-13,15-20,23-25H2,1-3H3;8,11-12,19-22,26-27,29,32H,6-7,9-10,13-18,23-25H2,1-5H3;9,12-13,20-22,25,28-29,32H,5-8,10-11,14-19,23-24,26H2,1-4H3
InChIKeyFGKKMELNUKMDQR-UHFFFAOYSA-N
MW4081.44 g/mol
LogP51.89
Rot. Bonds58

About [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate

[4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate (PubChem CID 163547640) has the molecular formula C243H312N24O28S2 and a molecular weight of 4081.44 g/mol. Its IUPAC name is [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate.

Molecular Properties

Compound Name[4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate
PubChem CID163547640
Molecular FormulaC243H312N24O28S2
Molecular Weight4081.44 g/mol
Exact Mass4078.32
IUPAC Name[4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate
SMILESCCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C(C)C)s4)ccn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C5CC5)n4)ccn3)CC2)C1.CCc1nc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(CC)C4)CC3)c2)co1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cc(C(C)C)on5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5nnc(C6CC6)o5)c4)(CC2)CC3)cc1C
InChIInChI=1S/C41H52N4O5.C41H52N4O4S.C41H54N4O4S.C40H50N4O5.2C40H52N4O5/c1-4-28-23-44(24-28)39(47)50-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)34-25-49-37(43-34)29-5-6-29)26-40-14-17-41(18-15-40,19-16-40)32-9-12-35(48-3)27(2)21-32;1-4-28-24-44(25-28)39(47)49-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)35-23-43-37(50-35)29-5-6-29)26-40-14-17-41(18-15-40,19-16-40)32-9-12-34(48-3)27(2)21-32;1-6-29-24-44(25-29)39(47)49-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)35-23-43-37(50-35)27(2)3)26-40-14-17-41(18-15-40,19-16-40)32-9-12-34(48-5)28(4)21-32;1-26-23-43(24-26)38(46)48-33-12-9-29(10-13-33)37(45)44(32-6-4-5-30(22-32)36-42-41-35(49-36)28-7-8-28)25-39-15-18-40(19-16-39,20-17-39)31-11-14-34(47-3)27(2)21-31;1-26(2)35-22-33(42-49-35)30-12-19-41-36(21-30)44(37(45)29-6-9-32(10-7-29)48-38(46)43-23-27(3)24-43)25-39-13-16-40(17-14-39,18-15-39)31-8-11-34(47-5)28(4)20-31;1-5-28-23-43(24-28)38(46)49-32-10-7-29(8-11-32)37(45)44(35-22-30(13-20-41-35)33-25-48-36(6-2)42-33)26-39-14-17-40(18-15-39,19-16-39)31-9-12-34(47-4)27(3)21-31/h9,12-13,20-22,25,28-30,33H,4-8,10-11,14-19,23-24,26H2,1-3H3;9,12-13,20-23,28-30,33H,4-8,10-11,14-19,24-26H2,1-3H3;9,12-13,20-23,27,29-30,33H,6-8,10-11,14-19,24-26H2,1-5H3;4-6,11,14,21-22,26,28-29,33H,7-10,12-13,15-20,23-25H2,1-3H3;8,11-12,19-22,26-27,29,32H,6-7,9-10,13-18,23-25H2,1-5H3;9,12-13,20-22,25,28-29,32H,5-8,10-11,14-19,23-24,26H2,1-4H3
InChIKeyFGKKMELNUKMDQR-UHFFFAOYSA-N
XLogP51.89
TPSA561.72 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds58
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004081.44
LogP ≤ 551.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate?
The IUPAC name of [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate (CID 163547640) is [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate.
What is the SMILES notation for [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate?
The canonical SMILES for [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate is CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C(C)C)s4)ccn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4cnc(C5CC5)s4)ccn3)CC2)C1.CCC1CN(C(=O)OC2CCC(C(=O)N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)c3cc(-c4coc(C5CC5)n4)ccn3)CC2)C1.CCc1nc(-c2ccnc(N(CC34CCC(c5ccc(OC)c(C)c5)(CC3)CC4)C(=O)C3CCC(OC(=O)N4CC(CC)C4)CC3)c2)co1.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cc(-c5cc(C(C)C)on5)ccn4)(CC2)CC3)cc1C.COc1ccc(C23CCC(CN(C(=O)C4CCC(OC(=O)N5CC(C)C5)CC4)c4cccc(-c5nnc(C6CC6)o5)c4)(CC2)CC3)cc1C.
What is the InChIKey of [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate?
The InChIKey is FGKKMELNUKMDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52N4O5.C41H52N4O4S.C41H54N4O4S.C40H50N4O5.2C40H52N4O5/c1-4-28-23-44(24-28)39(47)50-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)34-25-49-37(43-34)29-5-6-29)26-40-14-17-41(18-15-40,19-16-40)32-9-12-35(48-3)27(2)21-32;1-4-28-24-44(25-28)39(47)49-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)35-23-43-37(50-35)29-5-6-29)26-40-14-17-41(18-15-40,19-16-40)32-9-12-34(48-3)27(2)21-32;1-6-29-24-44(25-29)39(47)49-33-10-7-30(8-11-33)38(46)45(36-22-31(13-20-42-36)35-23-43-37(50-35)27(2)3)26-40-14-17-41(18-15-40,19-16-40)32-9-12-34(48-5)28(4)21-32;1-26-23-43(24-26)38(46)48-33-12-9-29(10-13-33)37(45)44(32-6-4-5-30(22-32)36-42-41-35(49-36)28-7-8-28)25-39-15-18-40(19-16-39,20-17-39)31-11-14-34(47-3)27(2)21-31;1-26(2)35-22-33(42-49-35)30-12-19-41-36(21-30)44(37(45)29-6-9-32(10-7-29)48-38(46)43-23-27(3)24-43)25-39-13-16-40(17-14-39,18-15-39)31-8-11-34(47-5)28(4)20-31;1-5-28-23-43(24-28)38(46)49-32-10-7-29(8-11-32)37(45)44(35-22-30(13-20-41-35)33-25-48-36(6-2)42-33)26-39-14-17-40(18-15-39,19-16-39)31-9-12-34(47-4)27(3)21-31/h9,12-13,20-22,25,28-30,33H,4-8,10-11,14-19,23-24,26H2,1-3H3;9,12-13,20-23,28-30,33H,4-8,10-11,14-19,24-26H2,1-3H3;9,12-13,20-23,27,29-30,33H,6-8,10-11,14-19,24-26H2,1-5H3;4-6,11,14,21-22,26,28-29,33H,7-10,12-13,15-20,23-25H2,1-3H3;8,11-12,19-22,26-27,29,32H,6-7,9-10,13-18,23-25H2,1-5H3;9,12-13,20-22,25,28-29,32H,5-8,10-11,14-19,23-24,26H2,1-4H3.
What are the key properties of [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate?
[4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate has a molecular weight of 4081.44 g/mol, XLogP of 51.89, 58 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(2-ethyl-1,3-oxazol-4-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(5-propan-2-yl-1,2-oxazol-3-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-methylazetidine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)-1-bicyclo[2.2.2]octanyl]methyl-[4-(2-propan-2-yl-1,3-thiazol-5-yl)-2-pyridinyl]carbamoyl]cyclohexyl] 3-ethylazetidine-1-carboxylate is sourced from PubChem (CID 163547640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).