N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one

C102H111ClF2N20O12 — CID 162087784

About N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one

N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one (PubChem CID 162087784) has the molecular formula C102H111ClF2N20O12 and a molecular weight of 1882.59 g/mol. Its IUPAC name is N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one.

Molecular Properties

• Compound Name: N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one
• PubChem CID: 162087784
• Molecular Formula: C102H111ClF2N20O12
• Molecular Weight: 1882.59 g/mol
• Exact Mass: 1880.83
• IUPAC Name: N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one
• SMILES: CC(C)(CC(=O)c1cccc2c1OCCNC2)c1[nH]nc2c(F)cccc12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1noc2c(Cl)cccc12.CC(C)(NC(=O)c1cncc2c1OCCNC2)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)c3ccnc4c3OCCNC4)nn(C)c12.Cc1cccc2c(C(C)(C)NC(=O)c3cncc4c3OCCNC4)nn(C)c12
• InChI: InChI=1S/C21H22FN3O2.2C21H25N5O2.C20H20ClN3O3.C19H19FN4O3/c1-21(2,20-15-7-4-8-16(22)18(15)24-25-20)11-17(26)14-6-3-5-13-12-23-9-10-27-19(13)14;1-13-6-5-7-15-17(13)26(4)25-19(15)21(2,3)24-20(27)16-12-23-11-14-10-22-8-9-28-18(14)16;1-13-6-5-7-14-17(13)26(4)25-19(14)21(2,3)24-20(27)15-8-9-23-16-12-22-10-11-28-18(15)16;1-20(2,18-13-6-4-8-15(21)17(13)27-24-18)23-19(25)14-7-3-5-12-11-22-9-10-26-16(12)14;1-19(2,17-12-4-3-5-14(20)16(12)27-24-17)23-18(25)13-10-22-9-11-8-21-6-7-26-15(11)13/h3-8,23H,9-12H2,1-2H3,(H,24,25);5-7,11-12,22H,8-10H2,1-4H3,(H,24,27);5-9,22H,10-12H2,1-4H3,(H,24,27);3-8,22H,9-11H2,1-2H3,(H,23,25);3-5,9-10,21H,6-8H2,1-2H3,(H,23,25)
• InChIKey: ZDEVLGLKFPYNJE-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 394.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.59
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

The IUPAC name of N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one (CID 162087784) is N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one.

What is the SMILES notation for N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

The canonical SMILES for N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one is CC(C)(CC(=O)c1cccc2c1OCCNC2)c1[nH]nc2c(F)cccc12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1noc2c(Cl)cccc12.CC(C)(NC(=O)c1cncc2c1OCCNC2)c1noc2c(F)cccc12.Cc1cccc2c(C(C)(C)NC(=O)c3ccnc4c3OCCNC4)nn(C)c12.Cc1cccc2c(C(C)(C)NC(=O)c3cncc4c3OCCNC4)nn(C)c12.

What is the InChIKey of N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

The InChIKey is ZDEVLGLKFPYNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2.2C21H25N5O2.C20H20ClN3O3.C19H19FN4O3/c1-21(2,20-15-7-4-8-16(22)18(15)24-25-20)11-17(26)14-6-3-5-13-12-23-9-10-27-19(13)14;1-13-6-5-7-15-17(13)26(4)25-19(15)21(2,3)24-20(27)16-12-23-11-14-10-22-8-9-28-18(14)16;1-13-6-5-7-14-17(13)26(4)25-19(14)21(2,3)24-20(27)15-8-9-23-16-12-22-10-11-28-18(15)16;1-20(2,18-13-6-4-8-15(21)17(13)27-24-18)23-19(25)14-7-3-5-12-11-22-9-10-26-16(12)14;1-19(2,17-12-4-3-5-14(20)16(12)27-24-17)23-18(25)13-10-22-9-11-8-21-6-7-26-15(11)13/h3-8,23H,9-12H2,1-2H3,(H,24,25);5-7,11-12,22H,8-10H2,1-4H3,(H,24,27);5-9,22H,10-12H2,1-4H3,(H,24,27);3-8,22H,9-11H2,1-2H3,(H,23,25);3-5,9-10,21H,6-8H2,1-2H3,(H,23,25).

What are the key properties of N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one has a molecular weight of 1882.59 g/mol, XLogP of 14.72, 16 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one is sourced from PubChem (CID 162087784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).