(3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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

C110H102N26O17S2 — CID 157111408

IUPAC(3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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
SMILESO=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(-c5cc(-c6nccs6)on5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn(Cc6ccccc6)nn5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3[C@H]2N1CCO
InChIInChI=1S/C24H22N6O3.2C22H23N5O3.2C21H17N5O4S/c31-10-9-30-21(32)12-16-11-19-17(22(16)30)7-4-8-18(19)23-25-24(33-27-23)20-14-29(28-26-20)13-15-5-2-1-3-6-15;2*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*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/h1-8,14,16,22,31H,9-13H2;2*3-5,12-13,20,28H,1-2,6-11H2;2*1-4,7,10-11,18,27H,5-6,8-9H2/t16-,22+;2*13-,20+;2*11-,18+/m11010/s1
InChIKeyAGWXTAWYWPACRE-PACARDRXSA-N
MW2124.32 g/mol
LogP13.14
Rot. Bonds24

About (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 157111408) has the molecular formula C110H102N26O17S2 and a molecular weight of 2124.32 g/mol. Its IUPAC name is (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 CID157111408
Molecular FormulaC110H102N26O17S2
Molecular Weight2124.32 g/mol
Exact Mass2122.74
IUPAC Name(3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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
SMILESO=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(-c5cc(-c6nccs6)on5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn(Cc6ccccc6)nn5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3[C@H]2N1CCO
InChIInChI=1S/C24H22N6O3.2C22H23N5O3.2C21H17N5O4S/c31-10-9-30-21(32)12-16-11-19-17(22(16)30)7-4-8-18(19)23-25-24(33-27-23)20-14-29(28-26-20)13-15-5-2-1-3-6-15;2*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*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/h1-8,14,16,22,31H,9-13H2;2*3-5,12-13,20,28H,1-2,6-11H2;2*1-4,7,10-11,18,27H,5-6,8-9H2/t16-,22+;2*13-,20+;2*11-,18+/m11010/s1
InChIKeyAGWXTAWYWPACRE-PACARDRXSA-N
XLogP13.14
TPSA541.49 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002124.32
LogP ≤ 513.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 157111408) is (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 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(-c5cc(-c6nccs6)on5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn(Cc6ccccc6)nn5)n4)cccc3[C@H]2N1CCO.O=C1C[C@H]2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3[C@H]2N1CCO.
What is the InChIKey of (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 AGWXTAWYWPACRE-PACARDRXSA-N. The full InChI is InChI=1S/C24H22N6O3.2C22H23N5O3.2C21H17N5O4S/c31-10-9-30-21(32)12-16-11-19-17(22(16)30)7-4-8-18(19)23-25-24(33-27-23)20-14-29(28-26-20)13-15-5-2-1-3-6-15;2*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*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/h1-8,14,16,22,31H,9-13H2;2*3-5,12-13,20,28H,1-2,6-11H2;2*1-4,7,10-11,18,27H,5-6,8-9H2/t16-,22+;2*13-,20+;2*11-,18+/m11010/s1.
What are the key properties of (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 2124.32 g/mol, XLogP of 13.14, 24 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-5-[5-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-(2-hydroxyethyl)-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 157111408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).