5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one

C187H297N47O19S2 — CID 161455710

IUPAC5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(Cc2ccccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnc2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnn2)C1=O.CNC1CC(C)(C)CCN(Cc2ccncc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccno2)C1=O.CNC1CC(C)(C)CCN(Cc2cnco2)C1=O.CNC1CC(C)(C)CCN(Cc2cncs2)C1=O.CNC1CC(C)(C)CCN(Cc2ncc[nH]2)C1=O.CNC1CC(C)(C)CCN(Cc2ncco2)C1=O.CNC1CC(C)(C)CCN(Cc2nccs2)C1=O.CNC1CC(C)(C)CCN(c2ccncn2)C1=O.CNC1CC(C)(C)CCN(c2cnccn2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O
InChIInChI=1S/3C15H23N3O.C14H22N4O.C13H22N4O.2C13H20N4O.3C13H21N3O2.2C13H21N3OS.C12H20N4O2.C12H19N3O2/c1-15(2)6-9-18(14(19)13(10-15)16-3)11-12-4-7-17-8-5-12;1-15(2)6-8-18(14(19)13(9-15)16-3)11-12-5-4-7-17-10-12;1-15(2)7-9-18(14(19)13(10-15)16-3)11-12-6-4-5-8-17-12;1-14(2)6-8-18(13(19)12(9-14)15-3)10-11-5-4-7-16-17-11;1-13(2)4-7-17(9-11-15-5-6-16-11)12(18)10(8-13)14-3;1-13(2)4-7-17(11-9-15-5-6-16-11)12(18)10(8-13)14-3;1-13(2)5-7-17(11-4-6-15-9-16-11)12(18)10(8-13)14-3;1-13(2)4-6-16(9-11-15-5-7-18-11)12(17)10(8-13)14-3;1-13(2)5-7-16(9-10-4-6-15-18-10)12(17)11(8-13)14-3;1-13(2)4-5-16(8-10-7-15-9-18-10)12(17)11(6-13)14-3;1-13(2)4-6-16(9-11-15-5-7-18-11)12(17)10(8-13)14-3;1-13(2)4-5-16(8-10-7-15-9-18-10)12(17)11(6-13)14-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3/h4-5,7-8,13,16H,6,9-11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;4-6,8,13,16H,7,9-11H2,1-3H3;4-5,7,12,15H,6,8-10H2,1-3H3;5-6,10,14H,4,7-9H2,1-3H3,(H,15,16);5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;5,7,10,14H,4,6,8-9H2,1-3H3;4,6,11,14H,5,7-9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;5,7,10,14H,4,6,8-9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;9,13H,5-7H2,1-4H3;5,7,9,13H,4,6,8H2,1-3H3
InChIKeyWBCWEYQCEBTEGF-UHFFFAOYSA-N
MW3571.88 g/mol
LogP20.78
Rot. Bonds38

About 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one

5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 161455710) has the molecular formula C187H297N47O19S2 and a molecular weight of 3571.88 g/mol. Its IUPAC name is 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID161455710
Molecular FormulaC187H297N47O19S2
Molecular Weight3571.88 g/mol
Exact Mass3569.32
IUPAC Name5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CC(C)(C)CCN(Cc2ccccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnc2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnn2)C1=O.CNC1CC(C)(C)CCN(Cc2ccncc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccno2)C1=O.CNC1CC(C)(C)CCN(Cc2cnco2)C1=O.CNC1CC(C)(C)CCN(Cc2cncs2)C1=O.CNC1CC(C)(C)CCN(Cc2ncc[nH]2)C1=O.CNC1CC(C)(C)CCN(Cc2ncco2)C1=O.CNC1CC(C)(C)CCN(Cc2nccs2)C1=O.CNC1CC(C)(C)CCN(c2ccncn2)C1=O.CNC1CC(C)(C)CCN(c2cnccn2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O
InChIInChI=1S/3C15H23N3O.C14H22N4O.C13H22N4O.2C13H20N4O.3C13H21N3O2.2C13H21N3OS.C12H20N4O2.C12H19N3O2/c1-15(2)6-9-18(14(19)13(10-15)16-3)11-12-4-7-17-8-5-12;1-15(2)6-8-18(14(19)13(9-15)16-3)11-12-5-4-7-17-10-12;1-15(2)7-9-18(14(19)13(10-15)16-3)11-12-6-4-5-8-17-12;1-14(2)6-8-18(13(19)12(9-14)15-3)10-11-5-4-7-16-17-11;1-13(2)4-7-17(9-11-15-5-6-16-11)12(18)10(8-13)14-3;1-13(2)4-7-17(11-9-15-5-6-16-11)12(18)10(8-13)14-3;1-13(2)5-7-17(11-4-6-15-9-16-11)12(18)10(8-13)14-3;1-13(2)4-6-16(9-11-15-5-7-18-11)12(17)10(8-13)14-3;1-13(2)5-7-16(9-10-4-6-15-18-10)12(17)11(8-13)14-3;1-13(2)4-5-16(8-10-7-15-9-18-10)12(17)11(6-13)14-3;1-13(2)4-6-16(9-11-15-5-7-18-11)12(17)10(8-13)14-3;1-13(2)4-5-16(8-10-7-15-9-18-10)12(17)11(6-13)14-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3/h4-5,7-8,13,16H,6,9-11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;4-6,8,13,16H,7,9-11H2,1-3H3;4-5,7,12,15H,6,8-10H2,1-3H3;5-6,10,14H,4,7-9H2,1-3H3,(H,15,16);5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;5,7,10,14H,4,6,8-9H2,1-3H3;4,6,11,14H,5,7-9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;5,7,10,14H,4,6,8-9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;9,13H,5-7H2,1-4H3;5,7,9,13H,4,6,8H2,1-3H3
InChIKeyWBCWEYQCEBTEGF-UHFFFAOYSA-N
XLogP20.78
TPSA766.27 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds38
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003571.88
LogP ≤ 520.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Analyze 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 161455710) is 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one is CNC1CC(C)(C)CCN(Cc2ccccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnc2)C1=O.CNC1CC(C)(C)CCN(Cc2cccnn2)C1=O.CNC1CC(C)(C)CCN(Cc2ccncc2)C1=O.CNC1CC(C)(C)CCN(Cc2ccno2)C1=O.CNC1CC(C)(C)CCN(Cc2cnco2)C1=O.CNC1CC(C)(C)CCN(Cc2cncs2)C1=O.CNC1CC(C)(C)CCN(Cc2ncc[nH]2)C1=O.CNC1CC(C)(C)CCN(Cc2ncco2)C1=O.CNC1CC(C)(C)CCN(Cc2nccs2)C1=O.CNC1CC(C)(C)CCN(c2ccncn2)C1=O.CNC1CC(C)(C)CCN(c2cnccn2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is WBCWEYQCEBTEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H23N3O.C14H22N4O.C13H22N4O.2C13H20N4O.3C13H21N3O2.2C13H21N3OS.C12H20N4O2.C12H19N3O2/c1-15(2)6-9-18(14(19)13(10-15)16-3)11-12-4-7-17-8-5-12;1-15(2)6-8-18(14(19)13(9-15)16-3)11-12-5-4-7-17-10-12;1-15(2)7-9-18(14(19)13(10-15)16-3)11-12-6-4-5-8-17-12;1-14(2)6-8-18(13(19)12(9-14)15-3)10-11-5-4-7-16-17-11;1-13(2)4-7-17(9-11-15-5-6-16-11)12(18)10(8-13)14-3;1-13(2)4-7-17(11-9-15-5-6-16-11)12(18)10(8-13)14-3;1-13(2)5-7-17(11-4-6-15-9-16-11)12(18)10(8-13)14-3;1-13(2)4-6-16(9-11-15-5-7-18-11)12(17)10(8-13)14-3;1-13(2)5-7-16(9-10-4-6-15-18-10)12(17)11(8-13)14-3;1-13(2)4-5-16(8-10-7-15-9-18-10)12(17)11(6-13)14-3;1-13(2)4-6-16(9-11-15-5-7-18-11)12(17)10(8-13)14-3;1-13(2)4-5-16(8-10-7-15-9-18-10)12(17)11(6-13)14-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3/h4-5,7-8,13,16H,6,9-11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;4-6,8,13,16H,7,9-11H2,1-3H3;4-5,7,12,15H,6,8-10H2,1-3H3;5-6,10,14H,4,7-9H2,1-3H3,(H,15,16);5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;5,7,10,14H,4,6,8-9H2,1-3H3;4,6,11,14H,5,7-9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;5,7,10,14H,4,6,8-9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;9,13H,5-7H2,1-4H3;5,7,9,13H,4,6,8H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 3571.88 g/mol, XLogP of 20.78, 38 rotatable bonds, 15 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 161455710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).