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

C149H239N37O20S3 — CID 159939446

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

6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 159939446) has the molecular formula C149H239N37O20S3 and a molecular weight of 2964.99 g/mol. Its IUPAC name is 6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

• Compound Name: 6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
• PubChem CID: 159939446
• Molecular Formula: C149H239N37O20S3
• Molecular Weight: 2964.99 g/mol
• Exact Mass: 2962.80
• IUPAC Name: 6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
• SMILES: CCc1nc(N2CC(C)(C)CCC(NC)C2=O)no1.CNC1CCC(C)(C)CN(c2ccc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2coc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2noc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2nsc(C)n2)C1=O
• InChI: InChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.4C12H19N3O2.C12H19N3OS/c1-5-10-15-12(16-19-10)17-8-13(2,3)7-6-9(14-4)11(17)18;1-9-15-11(7-18-9)16-8-13(2,3)6-5-10(14-4)12(16)17;1-13(2)7-6-10(14-3)12(17)16(9-13)11-5-4-8-15-11;2*1-13(2)7-6-10(14-3)12(16)15(9-13)11-5-4-8-17-11;2*1-8-14-11(15-18-8)16-7-12(2,3)6-5-9(13-4)10(16)17;5*1-12(2)5-4-9(13-3)10(16)15(8-12)11-14-6-7-17-11/h9,14H,5-8H2,1-4H3;7,10,14H,5-6,8H2,1-4H3;4-5,8,10,14-15H,6-7,9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;2*9,13H,5-7H2,1-4H3;5*6-7,9,13H,4-5,8H2,1-3H3
• InChIKey: OARLNWCAADSKSL-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 663.67 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2964.99
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

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

The IUPAC name of 6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one (CID 159939446) is 6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one.

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

The canonical SMILES for 6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one is CCc1nc(N2CC(C)(C)CCC(NC)C2=O)no1.CNC1CCC(C)(C)CN(c2ccc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2coc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2noc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2nsc(C)n2)C1=O.

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

The InChIKey is OARLNWCAADSKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.4C12H19N3O2.C12H19N3OS/c1-5-10-15-12(16-19-10)17-8-13(2,3)7-6-9(14-4)11(17)18;1-9-15-11(7-18-9)16-8-13(2,3)6-5-10(14-4)12(16)17;1-13(2)7-6-10(14-3)12(17)16(9-13)11-5-4-8-15-11;2*1-13(2)7-6-10(14-3)12(16)15(9-13)11-5-4-8-17-11;2*1-8-14-11(15-18-8)16-7-12(2,3)6-5-9(13-4)10(16)17;5*1-12(2)5-4-9(13-3)10(16)15(8-12)11-14-6-7-17-11/h9,14H,5-8H2,1-4H3;7,10,14H,5-6,8H2,1-4H3;4-5,8,10,14-15H,6-7,9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;2*9,13H,5-7H2,1-4H3;5*6-7,9,13H,4-5,8H2,1-3H3.

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

6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 2964.99 g/mol, XLogP of 19.62, 25 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 159939446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).