[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate

C118H152BrFN12O19S — CID 158447216

About [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate (PubChem CID 158447216) has the molecular formula C118H152BrFN12O19S and a molecular weight of 2173.55 g/mol. Its IUPAC name is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate
• PubChem CID: 158447216
• Molecular Formula: C118H152BrFN12O19S
• Molecular Weight: 2173.55 g/mol
• Exact Mass: 2171.02
• IUPAC Name: [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate
• SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(O)C2.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(OC(=O)c1c(C34CCC(CC3)CC4)noc1C1CC1)C2.COC(=O)c1cc(F)c2nc(Br)sc2c1.N#Cc1c(C23CCC(CC2)CC3)noc1C1CC1.O=C(O)c1c(C23CCC(CC2)CC3)noc1C1CC1.O=C(OC1C[C@H]2CC[C@@H](C1)N2)c1c(C23CCC(CC2)CC3)noc1C1CC1.O=C(c1c(C23CCC(CC2)CC3)noc1C1CC1)n1ccnc1
• InChI: InChI=1S/C27H38N2O5.C22H30N2O3.C18H21N3O2.C15H18N2O.C15H19NO3.C12H21NO3.C9H5BrFNO2S/c1-26(2,3)33-25(31)29-18-6-7-19(29)15-20(14-18)32-24(30)21-22(17-4-5-17)34-28-23(21)27-11-8-16(9-12-27)10-13-27;25-21(26-17-11-15-3-4-16(12-17)23-15)18-19(14-1-2-14)27-24-20(18)22-8-5-13(6-9-22)7-10-22;22-17(21-10-9-19-11-21)14-15(13-1-2-13)23-20-16(14)18-6-3-12(4-7-18)5-8-18;16-9-12-13(11-1-2-11)18-17-14(12)15-6-3-10(4-7-15)5-8-15;17-14(18)11-12(10-1-2-10)19-16-13(11)15-6-3-9(4-7-15)5-8-15;1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;1-14-8(13)4-2-5(11)7-6(3-4)15-9(10)12-7/h16-20H,4-15H2,1-3H3;13-17,23H,1-12H2;9-13H,1-8H2;10-11H,1-8H2;9-10H,1-8H2,(H,17,18);8-10,14H,4-7H2,1-3H3;2-3H,1H3/t16?,18-,19+,20?,27?;13?,15-,16+,17?,22?;;;;8-,9+,10?
• InChIKey: HDNOUXKQPPTMQK-VNXNGJGDSA-N
• XLogP: 25.74
• TPSA: 409.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.55
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate?

The IUPAC name of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate (CID 158447216) is [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate.

What is the SMILES notation for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate?

The canonical SMILES for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate is CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(O)C2.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(OC(=O)c1c(C34CCC(CC3)CC4)noc1C1CC1)C2.COC(=O)c1cc(F)c2nc(Br)sc2c1.N#Cc1c(C23CCC(CC2)CC3)noc1C1CC1.O=C(O)c1c(C23CCC(CC2)CC3)noc1C1CC1.O=C(OC1C[C@H]2CC[C@@H](C1)N2)c1c(C23CCC(CC2)CC3)noc1C1CC1.O=C(c1c(C23CCC(CC2)CC3)noc1C1CC1)n1ccnc1.

What is the InChIKey of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate?

The InChIKey is HDNOUXKQPPTMQK-VNXNGJGDSA-N. The full InChI is InChI=1S/C27H38N2O5.C22H30N2O3.C18H21N3O2.C15H18N2O.C15H19NO3.C12H21NO3.C9H5BrFNO2S/c1-26(2,3)33-25(31)29-18-6-7-19(29)15-20(14-18)32-24(30)21-22(17-4-5-17)34-28-23(21)27-11-8-16(9-12-27)10-13-27;25-21(26-17-11-15-3-4-16(12-17)23-15)18-19(14-1-2-14)27-24-20(18)22-8-5-13(6-9-22)7-10-22;22-17(21-10-9-19-11-21)14-15(13-1-2-13)23-20-16(14)18-6-3-12(4-7-18)5-8-18;16-9-12-13(11-1-2-11)18-17-14(12)15-6-3-10(4-7-15)5-8-15;17-14(18)11-12(10-1-2-10)19-16-13(11)15-6-3-9(4-7-15)5-8-15;1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;1-14-8(13)4-2-5(11)7-6(3-4)15-9(10)12-7/h16-20H,4-15H2,1-3H3;13-17,23H,1-12H2;9-13H,1-8H2;10-11H,1-8H2;9-10H,1-8H2,(H,17,18);8-10,14H,4-7H2,1-3H3;2-3H,1H3/t16?,18-,19+,20?,27?;13?,15-,16+,17?,22?;;;;8-,9+,10?;.

What are the key properties of [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate?

[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate has a molecular weight of 2173.55 g/mol, XLogP of 25.74, 17 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carbonitrile;3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylic acid;[3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazol-4-yl]-imidazol-1-ylmethanone;tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 2-bromo-4-fluoro-1,3-benzothiazole-6-carboxylate;[(1S,5R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl] 3-(1-bicyclo[2.2.2]octanyl)-5-cyclopropyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 158447216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).