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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one

C150H241N37O19S4 — CID 158000497

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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)(C)CCN(c2ccco2)C1=O.CNC1CC(C)(C)CCN(c2cccs2)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(c2nccs2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2.C12H19N3OS/c1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;2*1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)6-8-16(11-5-4-7-15-11)12(17)10(9-13)14-3;2*1-13(2)6-7-15(11-5-4-8-17-11)12(16)10(9-13)14-3;2*1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;4*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;2*8,10,14H,5-7H2,1-4H3;4-5,7,10,14-15H,6,8-9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;2*9,13H,5-7H2,1-4H3;4*5,7,9,13H,4,6,8H2,1-3H3
InChIKeyFDRCWRSOTGZCOC-UHFFFAOYSA-N
MW2995.09 g/mol
LogP20.39
Rot. Bonds25

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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 158000497) has the molecular formula C150H241N37O19S4 and a molecular weight of 2995.09 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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID158000497
Molecular FormulaC150H241N37O19S4
Molecular Weight2995.09 g/mol
Exact Mass2992.79
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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)(C)CCN(c2ccco2)C1=O.CNC1CC(C)(C)CCN(c2cccs2)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(c2nccs2)C1=O.CNC1CC(C)(C)CCN(c2noc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2.C12H19N3OS/c1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;2*1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)6-8-16(11-5-4-7-15-11)12(17)10(9-13)14-3;2*1-13(2)6-7-15(11-5-4-8-17-11)12(16)10(9-13)14-3;2*1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;4*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;2*8,10,14H,5-7H2,1-4H3;4-5,7,10,14-15H,6,8-9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;2*9,13H,5-7H2,1-4H3;4*5,7,9,13H,4,6,8H2,1-3H3
InChIKeyFDRCWRSOTGZCOC-UHFFFAOYSA-N
XLogP20.39
TPSA650.53 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002995.09
LogP ≤ 520.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Related Compounds

1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one
CID 91002754
6,6-Dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157076101
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-6-methyl-3-(methylamino)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-(1H-pyrrol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157098621
4,4-Dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 157167415
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)azepan-2-one;1-(furan-2-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157211694
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)
CID 157256111
1-(furan-3-ylmethyl)-3-(methylamino)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;N-[2-[3-(methylamino)-2-oxoazepan-1-yl]ethanimidoyl]formamide;3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 157272678
4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-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-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157273010
CID 157383407
CID 157383407
6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 157418303
CID 157436723
CID 157436723
CID 157440992
CID 157440992

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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 158000497) 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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is CCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)(C)CCN(c2ccco2)C1=O.CNC1CC(C)(C)CCN(c2cccs2)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(c2nccs2)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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is FDRCWRSOTGZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3OS.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.C12H20N4OS.3C12H19N3O2.C12H19N3OS/c1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;2*1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)6-8-16(11-5-4-7-15-11)12(17)10(9-13)14-3;2*1-13(2)6-7-15(11-5-4-8-17-11)12(16)10(9-13)14-3;2*1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;4*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;2*8,10,14H,5-7H2,1-4H3;4-5,7,10,14-15H,6,8-9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;2*9,13H,5-7H2,1-4H3;4*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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 2995.09 g/mol, XLogP of 20.39, 25 rotatable bonds, 13 hydrogen bond donors, and 47 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-(1H-pyrrol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 158000497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).