[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol

C74H90N10O11 — CID 158252965

About [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol

[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol (PubChem CID 158252965) has the molecular formula C74H90N10O11 and a molecular weight of 1295.59 g/mol. Its IUPAC name is [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol
• PubChem CID: 158252965
• Molecular Formula: C74H90N10O11
• Molecular Weight: 1295.59 g/mol
• Exact Mass: 1294.68
• IUPAC Name: [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol
• SMILES: CCOc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCN(CC)CC)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCO)no2)cc1OCC
• InChI: InChI=1S/C27H36N4O3.C25H29N3O4.C22H25N3O4/c1-5-31(6-2)17-16-28-23-14-13-20-21(23)10-9-11-22(20)26-29-27(34-30-26)19-12-15-24(32-7-3)25(18-19)33-8-4;1-3-30-22-11-8-16(14-23(22)31-4-2)25-26-24(27-32-25)20-7-5-6-19-18(20)9-10-21(19)28-13-12-17(29)15-28;1-3-27-19-11-8-14(12-20(19)28-4-2)22-24-21(25-29-22)17-7-5-6-16-15(17)9-10-18(16)23-13-26/h9-12,15,18,23,28H,5-8,13-14,16-17H2,1-4H3;5-8,11,14,17,21,29H,3-4,9-10,12-13,15H2,1-2H3;5-8,11-12,18,23,26H,3-4,9-10,13H2,1-2H3/t;17-,21?;/m.1./s1
• InChIKey: GGYBAIHDANBASD-FCNDINFKSA-N
• XLogP: 13.10
• TPSA: 243.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1295.59
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol?

The IUPAC name of [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol (CID 158252965) is [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol.

What is the SMILES notation for [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol?

The canonical SMILES for [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol is CCOc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCCN(CC)CC)no2)cc1OCC.CCOc1ccc(-c2nc(-c3cccc4c3CCC4NCO)no2)cc1OCC.

What is the InChIKey of [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol?

The InChIKey is GGYBAIHDANBASD-FCNDINFKSA-N. The full InChI is InChI=1S/C27H36N4O3.C25H29N3O4.C22H25N3O4/c1-5-31(6-2)17-16-28-23-14-13-20-21(23)10-9-11-22(20)26-29-27(34-30-26)19-12-15-24(32-7-3)25(18-19)33-8-4;1-3-30-22-11-8-16(14-23(22)31-4-2)25-26-24(27-32-25)20-7-5-6-19-18(20)9-10-21(19)28-13-12-17(29)15-28;1-3-27-19-11-8-14(12-20(19)28-4-2)22-24-21(25-29-22)17-7-5-6-16-15(17)9-10-18(16)23-13-26/h9-12,15,18,23,28H,5-8,13-14,16-17H2,1-4H3;5-8,11,14,17,21,29H,3-4,9-10,12-13,15H2,1-2H3;5-8,11-12,18,23,26H,3-4,9-10,13H2,1-2H3/t;17-,21?;/m.1./s1.

What are the key properties of [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol?

[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol has a molecular weight of 1295.59 g/mol, XLogP of 13.10, 27 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]methanol;N-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-N',N'-diethylethane-1,2-diamine;(3R)-1-[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 158252965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).