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

C175H282N44O20S6 — CID 157436723

IUPAC5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(Cc2cocn2)C1=O.CNC1CC(C)(C)CCN(Cc2cscn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncon2)C1=O.CNC1CC(C)(C)CCN(Cc2ncsn2)C1=O.CNC1CC(C)(C)CCN(c2cc[nH]c2)C1=O.CNC1CC(C)(C)CCN(c2ccoc2)C1=O.CNC1CC(C)(C)CCN(c2ccsc2)C1=O.CNC1CC(C)(C)CCN(c2cnc[nH]2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cocn2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cscn2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/2C13H21N3O2.2C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.2C12H20N4OS.C12H20N4O.2C12H19N3O2.C12H19N3OS/c1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-13(2)5-7-16(10-4-6-15-9-10)12(17)11(8-13)14-3;2*1-13(2)5-6-15(10-4-7-17-9-10)12(16)11(8-13)14-3;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-12(2)4-5-16(10-7-14-8-15-10)11(17)9(6-12)13-3;1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3;2*1-12(2)4-5-15(10-7-17-8-14-10)11(16)9(6-12)13-3/h8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;4,6,9,11,14-15H,5,7-8H2,1-3H3;2*4,7,9,11,14H,5-6,8H2,1-3H3;8-9,13H,4-7H2,1-3H3;9,13H,5-7H2,1-4H3;8-9,13H,4-7H2,1-3H3;7-9,13H,4-6H2,1-3H3,(H,14,15);5,7,9,13H,4,6,8H2,1-3H3;2*7-9,13H,4-6H2,1-3H3
InChIKeyBRERYJSCIJLBJO-UHFFFAOYSA-N
MW3514.87 g/mol
LogP23.01
Rot. Bonds32

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

5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 157436723) has the molecular formula C175H282N44O20S6 and a molecular weight of 3514.87 g/mol. Its IUPAC name is 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID157436723
Molecular FormulaC175H282N44O20S6
Molecular Weight3514.87 g/mol
Exact Mass3512.07
IUPAC Name5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(Cc2cocn2)C1=O.CNC1CC(C)(C)CCN(Cc2cscn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncon2)C1=O.CNC1CC(C)(C)CCN(Cc2ncsn2)C1=O.CNC1CC(C)(C)CCN(c2cc[nH]c2)C1=O.CNC1CC(C)(C)CCN(c2ccoc2)C1=O.CNC1CC(C)(C)CCN(c2ccsc2)C1=O.CNC1CC(C)(C)CCN(c2cnc[nH]2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cocn2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cscn2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/2C13H21N3O2.2C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.2C12H20N4OS.C12H20N4O.2C12H19N3O2.C12H19N3OS/c1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-13(2)5-7-16(10-4-6-15-9-10)12(17)11(8-13)14-3;2*1-13(2)5-6-15(10-4-7-17-9-10)12(16)11(8-13)14-3;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-12(2)4-5-16(10-7-14-8-15-10)11(17)9(6-12)13-3;1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3;2*1-12(2)4-5-15(10-7-17-8-14-10)11(16)9(6-12)13-3/h8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;4,6,9,11,14-15H,5,7-8H2,1-3H3;2*4,7,9,11,14H,5-6,8H2,1-3H3;8-9,13H,4-7H2,1-3H3;9,13H,5-7H2,1-4H3;8-9,13H,4-7H2,1-3H3;7-9,13H,4-6H2,1-3H3,(H,14,15);5,7,9,13H,4,6,8H2,1-3H3;2*7-9,13H,4-6H2,1-3H3
InChIKeyBRERYJSCIJLBJO-UHFFFAOYSA-N
XLogP23.01
TPSA743.64 Ų
H-Bond Donors16
H-Bond Acceptors54
Rotatable Bonds32
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003514.87
LogP ≤ 523.01
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1054

Analyze 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 157436723) is 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is CNC1CC(C)(C)CCN(Cc2cocn2)C1=O.CNC1CC(C)(C)CCN(Cc2cscn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncon2)C1=O.CNC1CC(C)(C)CCN(Cc2ncsn2)C1=O.CNC1CC(C)(C)CCN(c2cc[nH]c2)C1=O.CNC1CC(C)(C)CCN(c2ccoc2)C1=O.CNC1CC(C)(C)CCN(c2ccsc2)C1=O.CNC1CC(C)(C)CCN(c2cnc[nH]2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cocn2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cscn2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is BRERYJSCIJLBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3O2.2C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.2C12H20N4OS.C12H20N4O.2C12H19N3O2.C12H19N3OS/c1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-13(2)5-7-16(10-4-6-15-9-10)12(17)11(8-13)14-3;2*1-13(2)5-6-15(10-4-7-17-9-10)12(16)11(8-13)14-3;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-12(2)4-5-16(10-7-14-8-15-10)11(17)9(6-12)13-3;1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3;2*1-12(2)4-5-15(10-7-17-8-14-10)11(16)9(6-12)13-3/h8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;4,6,9,11,14-15H,5,7-8H2,1-3H3;2*4,7,9,11,14H,5-6,8H2,1-3H3;8-9,13H,4-7H2,1-3H3;9,13H,5-7H2,1-4H3;8-9,13H,4-7H2,1-3H3;7-9,13H,4-6H2,1-3H3,(H,14,15);5,7,9,13H,4,6,8H2,1-3H3;2*7-9,13H,4-6H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 3514.87 g/mol, XLogP of 23.01, 32 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 157436723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).