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

C137H214N38O19S3 — CID 158379527

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

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (PubChem CID 158379527) has the molecular formula C137H214N38O19S3 and a molecular weight of 2793.67 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.

Molecular Properties

• Compound Name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
• PubChem CID: 158379527
• Molecular Formula: C137H214N38O19S3
• Molecular Weight: 2793.67 g/mol
• Exact Mass: 2791.61
• IUPAC Name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
• SMILES: CCc1nc(N2CCC(C)CC(NC)C2=O)no1.CNC1CC(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)CCN(c2ccco2)C1=O.CNC1CC(C)CCN(c2cccs2)C1=O.CNC1CC(C)CCN(c2cnccn2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2nccs2)C1=O.CNC1CC(C)CCN(c2noc(C)n2)C1=O.CNC1CC(C)CCN(c2nsc(C)n2)C1=O
• InChI: InChI=1S/C12H20N4O2.C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.C11H18N4OS.4C11H17N3O2.C11H17N3OS/c1-4-10-14-12(15-18-10)16-6-5-8(2)7-9(13-3)11(16)17;1-9-3-6-16(11-8-14-4-5-15-11)12(17)10(7-9)13-2;1-9-5-7-15(11-4-3-6-14-11)12(16)10(8-9)13-2;2*1-9-5-6-14(11-4-3-7-16-11)12(15)10(8-9)13-2;2*1-7-4-5-15(10(16)9(6-7)12-3)11-13-8(2)17-14-11;5*1-8-3-5-14(11-13-4-6-16-11)10(15)9(7-8)12-2/h8-9,13H,4-7H2,1-3H3;4-5,8-10,13H,3,6-7H2,1-2H3;3-4,6,9-10,13-14H,5,7-8H2,1-2H3;2*3-4,7,9-10,13H,5-6,8H2,1-2H3;2*7,9,12H,4-6H2,1-3H3;5*4,6,8-9,12H,3,5,7H2,1-2H3
• InChIKey: GVPREAMIYSVJBP-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 663.42 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2793.67
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

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

The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (CID 158379527) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.

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

The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is CCc1nc(N2CCC(C)CC(NC)C2=O)no1.CNC1CC(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)CCN(c2ccco2)C1=O.CNC1CC(C)CCN(c2cccs2)C1=O.CNC1CC(C)CCN(c2cnccn2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2nccs2)C1=O.CNC1CC(C)CCN(c2noc(C)n2)C1=O.CNC1CC(C)CCN(c2nsc(C)n2)C1=O.

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

The InChIKey is GVPREAMIYSVJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.C11H18N4OS.4C11H17N3O2.C11H17N3OS/c1-4-10-14-12(15-18-10)16-6-5-8(2)7-9(13-3)11(16)17;1-9-3-6-16(11-8-14-4-5-15-11)12(17)10(7-9)13-2;1-9-5-7-15(11-4-3-6-14-11)12(16)10(8-9)13-2;2*1-9-5-6-14(11-4-3-7-16-11)12(15)10(8-9)13-2;2*1-7-4-5-15(10(16)9(6-7)12-3)11-13-8(2)17-14-11;5*1-8-3-5-14(11-13-4-6-16-11)10(15)9(7-8)12-2/h8-9,13H,4-7H2,1-3H3;4-5,8-10,13H,3,6-7H2,1-2H3;3-4,6,9-10,13-14H,5,7-8H2,1-2H3;2*3-4,7,9-10,13H,5-6,8H2,1-2H3;2*7,9,12H,4-6H2,1-3H3;5*4,6,8-9,12H,3,5,7H2,1-2H3.

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

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one has a molecular weight of 2793.67 g/mol, XLogP of 14.43, 25 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;tetrakis(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is sourced from PubChem (CID 158379527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).