1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)

C162H252N40O21S6 — CID 159186773

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) (PubChem CID 159186773) has the molecular formula C162H252N40O21S6 and a molecular weight of 3288.46 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one).

Molecular Properties

• Compound Name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)
• PubChem CID: 159186773
• Molecular Formula: C162H252N40O21S6
• Molecular Weight: 3288.46 g/mol
• Exact Mass: 3285.82
• IUPAC Name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)
• SMILES: CCc1nc(N2CC(C)CCC(NC)C2=O)no1.CNC1CCC(C)CN(c2ccc[nH]2)C1=O.CNC1CCC(C)CN(c2ccco2)C1=O.CNC1CCC(C)CN(c2ccco2)C1=O.CNC1CCC(C)CN(c2cccs2)C1=O.CNC1CCC(C)CN(c2cccs2)C1=O.CNC1CCC(C)CN(c2coc(C)n2)C1=O.CNC1CCC(C)CN(c2csc(C)n2)C1=O.CNC1CCC(C)CN(c2ncco2)C1=O.CNC1CCC(C)CN(c2ncco2)C1=O.CNC1CCC(C)CN(c2ncco2)C1=O.CNC1CCC(C)CN(c2nccs2)C1=O.CNC1CCC(C)CN(c2nccs2)C1=O.CNC1CCC(C)CN(c2nsc(C)n2)C1=O
• InChI: InChI=1S/C12H20N4O2.C12H19N3O2.C12H19N3OS.C12H19N3O.2C12H18N2O2.2C12H18N2OS.C11H18N4OS.3C11H17N3O2.2C11H17N3OS/c1-4-10-14-12(15-18-10)16-7-8(2)5-6-9(13-3)11(16)17;2*1-8-4-5-10(13-3)12(16)15(6-8)11-7-17-9(2)14-11;1-9-5-6-10(13-2)12(16)15(8-9)11-4-3-7-14-11;4*1-9-5-6-10(13-2)12(15)14(8-9)11-4-3-7-16-11;1-7-4-5-9(12-3)10(16)15(6-7)11-13-8(2)17-14-11;5*1-8-3-4-9(12-2)10(15)14(7-8)11-13-5-6-16-11/h8-9,13H,4-7H2,1-3H3;2*7-8,10,13H,4-6H2,1-3H3;3-4,7,9-10,13-14H,5-6,8H2,1-2H3;4*3-4,7,9-10,13H,5-6,8H2,1-2H3;7,9,12H,4-6H2,1-3H3;5*5-6,8-9,12H,3-4,7H2,1-2H3
• InChIKey: KNOYCPXHGHMYSS-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 702.32 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 52
• Rotatable Bonds: 29
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3288.46
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?

The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) (CID 159186773) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one).

What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?

The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) is CCc1nc(N2CC(C)CCC(NC)C2=O)no1.CNC1CCC(C)CN(c2ccc[nH]2)C1=O.CNC1CCC(C)CN(c2ccco2)C1=O.CNC1CCC(C)CN(c2ccco2)C1=O.CNC1CCC(C)CN(c2cccs2)C1=O.CNC1CCC(C)CN(c2cccs2)C1=O.CNC1CCC(C)CN(c2coc(C)n2)C1=O.CNC1CCC(C)CN(c2csc(C)n2)C1=O.CNC1CCC(C)CN(c2ncco2)C1=O.CNC1CCC(C)CN(c2ncco2)C1=O.CNC1CCC(C)CN(c2ncco2)C1=O.CNC1CCC(C)CN(c2nccs2)C1=O.CNC1CCC(C)CN(c2nccs2)C1=O.CNC1CCC(C)CN(c2nsc(C)n2)C1=O.

What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?

The InChIKey is KNOYCPXHGHMYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.C12H19N3O2.C12H19N3OS.C12H19N3O.2C12H18N2O2.2C12H18N2OS.C11H18N4OS.3C11H17N3O2.2C11H17N3OS/c1-4-10-14-12(15-18-10)16-7-8(2)5-6-9(13-3)11(16)17;2*1-8-4-5-10(13-3)12(16)15(6-8)11-7-17-9(2)14-11;1-9-5-6-10(13-2)12(16)15(8-9)11-4-3-7-14-11;4*1-9-5-6-10(13-2)12(15)14(8-9)11-4-3-7-16-11;1-7-4-5-9(12-3)10(16)15(6-7)11-13-8(2)17-14-11;5*1-8-3-4-9(12-2)10(15)14(7-8)11-13-5-6-16-11/h8-9,13H,4-7H2,1-3H3;2*7-8,10,13H,4-6H2,1-3H3;3-4,7,9-10,13-14H,5-6,8H2,1-2H3;4*3-4,7,9-10,13H,5-6,8H2,1-2H3;7,9,12H,4-6H2,1-3H3;5*5-6,8-9,12H,3-4,7H2,1-2H3.

What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one)?

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) has a molecular weight of 3288.46 g/mol, XLogP of 20.21, 29 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6-methyl-3-(methylamino)azepan-2-one);6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;bis(6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one) is sourced from PubChem (CID 159186773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).