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

C125H201N35O16S2 — CID 158048663

IUPAC5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(c2ccncn2)C1=O.CNC1CC(C)(C)CCN(c2cnccn2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H22N4O2.2C13H20N4O.C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2/c1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;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;2*1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;2*1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;3*1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3/h9,14H,5-8H2,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;2*8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;3*5,7,9,13H,4,6,8H2,1-3H3
InChIKeyFJFFTLUCDFMOLS-UHFFFAOYSA-N
MW2514.35 g/mol
LogP14.68
Rot. Bonds21

About 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 158048663) has the molecular formula C125H201N35O16S2 and a molecular weight of 2514.35 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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID158048663
Molecular FormulaC125H201N35O16S2
Molecular Weight2514.35 g/mol
Exact Mass2512.54
IUPAC Name5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(c2ccncn2)C1=O.CNC1CC(C)(C)CCN(c2cnccn2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H22N4O2.2C13H20N4O.C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2/c1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;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;2*1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;2*1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;3*1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3/h9,14H,5-8H2,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;2*8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;3*5,7,9,13H,4,6,8H2,1-3H3
InChIKeyFJFFTLUCDFMOLS-UHFFFAOYSA-N
XLogP14.68
TPSA595.59 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds21
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002514.35
LogP ≤ 514.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Related Compounds

3-(5-Ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one
CID 157157623
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 157194461
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
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);4-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 157379863
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one
CID 157651831
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;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;6,6-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157900238
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;6-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 157901428
6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 157979681
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);4-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 158259030
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 158626469
CID 158832378
CID 158832378
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-(1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)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 159904611

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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 158048663) is 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is CCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(c2ccncn2)C1=O.CNC1CC(C)(C)CCN(c2cnccn2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2nsc(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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is FJFFTLUCDFMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.2C13H20N4O.C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2/c1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;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;2*1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;2*1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;3*1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3/h9,14H,5-8H2,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;2*8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;3*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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 2514.35 g/mol, XLogP of 14.68, 21 rotatable bonds, 10 hydrogen bond donors, and 43 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-(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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 158048663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).