7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one

C125H201N35O16S2 — CID 157307019

About 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one

7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 157307019) has the molecular formula C125H201N35O16S2 and a molecular weight of 2514.35 g/mol. Its IUPAC name is 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

• Compound Name: 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
• PubChem CID: 157307019
• Molecular Formula: C125H201N35O16S2
• Molecular Weight: 2514.35 g/mol
• Exact Mass: 2512.54
• IUPAC Name: 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
• SMILES: CCc1nc(N2C(=O)C(NC)CCCC2(C)C)no1.CNC1CCCC(C)(C)N(c2ccncn2)C1=O.CNC1CCCC(C)(C)N(c2cnccn2)C1=O.CNC1CCCC(C)(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2noc(C)n2)C1=O.CNC1CCCC(C)(C)N(c2nsc(C)n2)C1=O
• InChI: InChI=1S/C13H22N4O2.2C13H20N4O.C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2/c1-5-10-15-12(16-19-10)17-11(18)9(14-4)7-6-8-13(17,2)3;1-13(2)7-4-5-10(14-3)12(18)17(13)11-6-8-15-9-16-11;1-13(2)6-4-5-10(14-3)12(18)17(13)11-9-15-7-8-16-11;2*1-9-15-11(8-18-9)16-12(17)10(14-4)6-5-7-13(16,2)3;2*1-8-14-11(15-18-8)16-10(17)9(13-4)6-5-7-12(16,2)3;3*1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h9,14H,5-8H2,1-4H3;6,8-10,14H,4-5,7H2,1-3H3;7-10,14H,4-6H2,1-3H3;2*8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;3*7-9,13H,4-6H2,1-3H3
• InChIKey: BCPHWOPZUYBUNQ-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 595.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.35
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?

The IUPAC name of 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one (CID 157307019) is 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one.

What is the SMILES notation for 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?

The canonical SMILES for 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one is CCc1nc(N2C(=O)C(NC)CCCC2(C)C)no1.CNC1CCCC(C)(C)N(c2ccncn2)C1=O.CNC1CCCC(C)(C)N(c2cnccn2)C1=O.CNC1CCCC(C)(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2noc(C)n2)C1=O.CNC1CCCC(C)(C)N(c2nsc(C)n2)C1=O.

What is the InChIKey of 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?

The InChIKey is BCPHWOPZUYBUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.2C13H20N4O.C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2/c1-5-10-15-12(16-19-10)17-11(18)9(14-4)7-6-8-13(17,2)3;1-13(2)7-4-5-10(14-3)12(18)17(13)11-6-8-15-9-16-11;1-13(2)6-4-5-10(14-3)12(18)17(13)11-9-15-7-8-16-11;2*1-9-15-11(8-18-9)16-12(17)10(14-4)6-5-7-13(16,2)3;2*1-8-14-11(15-18-8)16-10(17)9(13-4)6-5-7-12(16,2)3;3*1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h9,14H,5-8H2,1-4H3;6,8-10,14H,4-5,7H2,1-3H3;7-10,14H,4-6H2,1-3H3;2*8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;3*7-9,13H,4-6H2,1-3H3.

What are the key properties of 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?

7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 2514.35 g/mol, XLogP of 16.10, 21 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 157307019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).