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

C150H241N41O20S2 — CID 159904611

IUPAC7,7-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
SMILESCCc1nc(N2C(=O)C(NC)CCCC2(C)C)no1.CNC1CCCC(C)(C)N(Cc2cocn2)C1=O.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(c2cocn2)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
InChIInChI=1S/C13H22N4O2.2C13H20N4O.2C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.4C12H19N3O2/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;1-9-15-11(8-18-9)16-12(17)10(14-4)6-5-7-13(16,2)3;1-13(2)6-4-5-11(14-3)12(17)16(13)7-10-8-18-9-15-10;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;1-12(2)6-4-5-9(13-3)11(16)15(12)10-7-17-8-14-10;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;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;4*7-9,13H,4-6H2,1-3H3
InChIKeyNWKGAEZHVIBQHN-UHFFFAOYSA-N
MW3002.98 g/mol
LogP19.21
Rot. Bonds26

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-(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

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 (PubChem CID 159904611) has the molecular formula C150H241N41O20S2 and a molecular weight of 3002.98 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-(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.

Molecular Properties

Compound Name7,7-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
PubChem CID159904611
Molecular FormulaC150H241N41O20S2
Molecular Weight3002.98 g/mol
Exact Mass3000.85
IUPAC Name7,7-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
SMILESCCc1nc(N2C(=O)C(NC)CCCC2(C)C)no1.CNC1CCCC(C)(C)N(Cc2cocn2)C1=O.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(c2cocn2)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
InChIInChI=1S/C13H22N4O2.2C13H20N4O.2C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.4C12H19N3O2/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;1-9-15-11(8-18-9)16-12(17)10(14-4)6-5-7-13(16,2)3;1-13(2)6-4-5-11(14-3)12(17)16(13)7-10-8-18-9-15-10;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;1-12(2)6-4-5-9(13-3)11(16)15(12)10-7-17-8-14-10;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;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;4*7-9,13H,4-6H2,1-3H3
InChIKeyNWKGAEZHVIBQHN-UHFFFAOYSA-N
XLogP19.21
TPSA712.33 Ų
H-Bond Donors12
H-Bond Acceptors51
Rotatable Bonds26
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003002.98
LogP ≤ 519.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1051

Analyze 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 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
CID 157919784
CID 157919784
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
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
CID 158147390
CID 158147390
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

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-(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?
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-(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) 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-(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.
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-(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?
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-(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 is CCc1nc(N2C(=O)C(NC)CCCC2(C)C)no1.CNC1CCCC(C)(C)N(Cc2cocn2)C1=O.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(c2cocn2)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-(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?
The InChIKey is NWKGAEZHVIBQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.2C13H20N4O.2C13H21N3O2.C13H21N3OS.C12H20N4O2.C12H20N4OS.4C12H19N3O2/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;1-9-15-11(8-18-9)16-12(17)10(14-4)6-5-7-13(16,2)3;1-13(2)6-4-5-11(14-3)12(17)16(13)7-10-8-18-9-15-10;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;1-12(2)6-4-5-9(13-3)11(16)15(12)10-7-17-8-14-10;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;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;2*9,13H,5-7H2,1-4H3;4*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-(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?
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 has a molecular weight of 3002.98 g/mol, XLogP of 19.21, 26 rotatable bonds, 12 hydrogen bond donors, and 51 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-(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 is sourced from PubChem (CID 159904611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).