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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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

C91H87N19O14S — CID 158592013

About 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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

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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 158592013) has the molecular formula C91H87N19O14S and a molecular weight of 1702.88 g/mol. Its IUPAC name is 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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: 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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: 158592013
• Molecular Formula: C91H87N19O14S
• Molecular Weight: 1702.88 g/mol
• Exact Mass: 1701.64
• IUPAC Name: 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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)Oc1ccc(-c2nc(-c3cccc4c3CC3CC(=O)N(CCO)C43)no2)cc1.O=C1CC2Cc3c(-c4noc(-c5cc(-c6nccs6)on5)n4)cccc3C2N1CCO.O=C1CC2Cc3c(-c4noc(-c5cn(Cc6ccccc6)nn5)n4)cccc3C2N1CCO.O=C1CC2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3C2N1CCO
• InChI: InChI=1S/C24H22N6O3.C24H25N3O4.C22H23N5O3.C21H17N5O4S/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;1-14(2)30-17-8-6-15(7-9-17)24-25-23(26-31-24)19-5-3-4-18-20(19)12-16-13-21(29)27(10-11-28)22(16)18;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;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;3-9,14,16,22,28H,10-13H2,1-2H3;3-5,12-13,20,28H,1-2,6-11H2;1-4,7,10-11,18,27H,5-6,8-9H2
• InChIKey: HUOGEWBDJVTWIP-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 414.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1702.88
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 158592013) is 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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)Oc1ccc(-c2nc(-c3cccc4c3CC3CC(=O)N(CCO)C43)no2)cc1.O=C1CC2Cc3c(-c4noc(-c5cc(-c6nccs6)on5)n4)cccc3C2N1CCO.O=C1CC2Cc3c(-c4noc(-c5cn(Cc6ccccc6)nn5)n4)cccc3C2N1CCO.O=C1CC2Cc3c(-c4noc(-c5cn6c(n5)CCCC6)n4)cccc3C2N1CCO.

What is the InChIKey of 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 HUOGEWBDJVTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3.C24H25N3O4.C22H23N5O3.C21H17N5O4S/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;1-14(2)30-17-8-6-15(7-9-17)24-25-23(26-31-24)19-5-3-4-18-20(19)12-16-13-21(29)27(10-11-28)22(16)18;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;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;3-9,14,16,22,28H,10-13H2,1-2H3;3-5,12-13,20,28H,1-2,6-11H2;1-4,7,10-11,18,27H,5-6,8-9H2.

What are the key properties of 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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?

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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 1702.88 g/mol, XLogP of 11.44, 21 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-(2-hydroxyethyl)-5-[5-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one;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;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 158592013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).