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Murcko scaffold

Ring system with 3 rings and 16 atoms

20 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
20
With full pages
3
Scaffold SMILES

O=C1COc2ccc(B3OCCO3)cc2N1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold O=C1COc2ccc(B3OCCO3)cc2N1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 20 of 20 chemicals

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C14H18BNO4, CAS 943994-02-3
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS 943994-02-3C14H18BNO4
4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[B][1,4]oxazin-3(4H)-one chemical structure, C15H20BNO4, CAS 1218790-29-4
4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[B][1,4]oxazin-3(4H)-one
CAS 1218790-29-4C15H20BNO4
8-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[B][1,4]oxazin-3(4H)-one chemical structure, C15H20BNO4, CAS 943994-87-4
8-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[B][1,4]oxazin-3(4H)-one
CAS 943994-87-4C15H20BNO4
8-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[B][1,4]oxazin-3(4H)-one chemical structure, C14H17BFNO4, CAS 943994-40-9
8-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[B][1,4]oxazin-3(4H)-one
CAS 943994-40-9C14H17BFNO4
8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester chemical structure, C14H17BClNO4, CAS 943994-43-2
8-Chloro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
CAS 943994-43-2C14H17BClNO4
5-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one chemical structure, C14H17BClNO4, CAS 1221496-99-6
5-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one
CAS 1221496-99-6C14H17BClNO4
5-Fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester chemical structure, C14H17BFNO4, CAS 1221496-98-5
5-Fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
CAS 1221496-98-5C14H17BFNO4
5-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester chemical structure, C15H20BNO4, CAS 1221502-31-3
5-Methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
CAS 1221502-31-3C15H20BNO4
5,8-Difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester chemical structure, C14H16BF2NO4, CAS 1221502-87-9
5,8-Difluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
CAS 1221502-87-9C14H16BF2NO4
8-(1,1-Dimethylethyl)-4-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one chemical structure, C21H32BNO4, CAS 1402888-70-3
8-(1,1-Dimethylethyl)-4-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one
CAS 1402888-70-3C21H32BNO4
4-Propyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one chemical structure, C17H24BNO4, CAS 2377609-36-2
4-Propyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS 2377609-36-2C17H24BNO4
7-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C14H17BFNO4, CAS 2018286-71-8
7-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS 2018286-71-8C14H17BFNO4
2H-1,4-Benzoxazin-3(4H)-one, 2,2,4-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- chemical structure, C17H24BNO4, CAS 1650548-33-6
2H-1,4-Benzoxazin-3(4H)-one, 2,2,4-trimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS 1650548-33-6C17H24BNO4
2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester chemical structure, C16H22BNO4, CAS 1650548-32-5
2,2-Dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-boronic Acid Pinacol Ester
CAS 1650548-32-5C16H22BNO4
4-(2-Methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C17H24BNO5, CAS 1489264-12-1
4-(2-Methoxyethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS 1489264-12-1C17H24BNO5
4-(2,2-Difluoroethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C16H20BF2NO4, CAS 1489264-52-9
4-(2,2-Difluoroethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS 1489264-52-9C16H20BF2NO4
2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one chemical structure, C15H20BNO4, CAS 2377233-83-3
2-Methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS 2377233-83-3C15H20BNO4
8-Fluoro-4-isopropyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C17H23BFNO4, CAS 2370912-04-0
8-Fluoro-4-isopropyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS 2370912-04-0C17H23BFNO4
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(2,2,2-trifluoroethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C16H19BF3NO4, CAS 2709079-94-5
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(2,2,2-trifluoroethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS 2709079-94-5C16H19BF3NO4
8-Chloro-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C15H19BClNO4, CAS 2891516-29-1
8-Chloro-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS 2891516-29-1C15H19BClNO4