(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

C212H196N52O32S4 — CID 157413604

About (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (PubChem CID 157413604) has the molecular formula C212H196N52O32S4 and a molecular weight of 4112.50 g/mol. Its IUPAC name is (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.

Molecular Properties

• Compound Name: (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
• PubChem CID: 157413604
• Molecular Formula: C212H196N52O32S4
• Molecular Weight: 4112.50 g/mol
• Exact Mass: 4109.42
• IUPAC Name: (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
• SMILES: CC(C)c1ncc(-c2nc(-c3cccc4c3C[C@@H]3CC(=O)N(CCO)[C@H]43)no2)s1.CC(C)c1ncc(-c2nc(-c3cccc4c3C[C@H]3CC(=O)N(CCO)[C@@H]43)no2)s1.O=C1C[C@@H]2Cc3c(-c4noc(-c5cc(-c6nccs6)on5)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cc(-c6nccs6)on5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@H]2N1CCO
• InChI: InChI=1S/2C22H23N5O3.4C21H18N6O3.2C21H17N5O4S.2C21H22N4O3S/c2*28-9-8-27-19(29)11-13-10-16-14(20(13)27)4-3-5-15(16)21-24-22(30-25-21)17-12-26-7-2-1-6-18(26)23-17;2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-26-6-2-5-22-21(26)23-16;2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-23-21-22-5-2-6-26(16)21;2*27-6-5-26-17(28)9-11-8-14-12(18(11)26)2-1-3-13(14)19-23-20(30-25-19)15-10-16(29-24-15)21-22-4-7-31-21;2*1-11(2)21-22-10-16(29-21)20-23-19(24-28-20)14-5-3-4-13-15(14)8-12-9-17(27)25(6-7-26)18(12)13/h2*3-5,12-13,20,28H,1-2,6-11H2;4*1-6,11-12,18,28H,7-10H2;2*1-4,7,10-11,18,27H,5-6,8-9H2;2*3-5,10-12,18,26H,6-9H2,1-2H3/t2*13-,20+;4*12-,18+;2*11-,18+;2*12-,18+/m1010101010/s1
• InChIKey: BOOSNKAZSIQRAR-WZUZVBPGSA-N
• XLogP: 25.04
• TPSA: 1054.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 78
• Rotatable Bonds: 44
• Heavy Atoms: 300
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4112.50
LogP ≤ 5	25.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	78

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

The IUPAC name of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (CID 157413604) is (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.

What is the SMILES notation for (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

The canonical SMILES for (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is CC(C)c1ncc(-c2nc(-c3cccc4c3C[C@@H]3CC(=O)N(CCO)[C@H]43)no2)s1.CC(C)c1ncc(-c2nc(-c3cccc4c3C[C@H]3CC(=O)N(CCO)[C@@H]43)no2)s1.O=C1C[C@@H]2Cc3c(-c4noc(-c5cc(-c6nccs6)on5)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@@H]2N1CCO.O=C1C[C@@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cc(-c6nccs6)on5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6cccnc6n5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cnc6ncccn56)n4)cccc3[C@H]2N1CCO.

What is the InChIKey of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

The InChIKey is BOOSNKAZSIQRAR-WZUZVBPGSA-N. The full InChI is InChI=1S/2C22H23N5O3.4C21H18N6O3.2C21H17N5O4S.2C21H22N4O3S/c2*28-9-8-27-19(29)11-13-10-16-14(20(13)27)4-3-5-15(16)21-24-22(30-25-21)17-12-26-7-2-1-6-18(26)23-17;2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-26-6-2-5-22-21(26)23-16;2*28-8-7-27-17(29)10-12-9-15-13(18(12)27)3-1-4-14(15)19-24-20(30-25-19)16-11-23-21-22-5-2-6-26(16)21;2*27-6-5-26-17(28)9-11-8-14-12(18(11)26)2-1-3-13(14)19-23-20(30-25-19)15-10-16(29-24-15)21-22-4-7-31-21;2*1-11(2)21-22-10-16(29-21)20-23-19(24-28-20)14-5-3-4-13-15(14)8-12-9-17(27)25(6-7-26)18(12)13/h2*3-5,12-13,20,28H,1-2,6-11H2;4*1-6,11-12,18,28H,7-10H2;2*1-4,7,10-11,18,27H,5-6,8-9H2;2*3-5,10-12,18,26H,6-9H2,1-2H3/t2*13-,20+;4*12-,18+;2*11-,18+;2*12-,18+/m1010101010/s1.

What are the key properties of (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?

(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one has a molecular weight of 4112.50 g/mol, XLogP of 25.04, 44 rotatable bonds, 10 hydrogen bond donors, and 78 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-2-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-(5-imidazo[1,2-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(2-propan-2-yl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aR,8bS)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;(3aS,8bR)-1-(2-hydroxyethyl)-5-[5-[5-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 157413604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).