5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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

C208H324N50O22S2 — CID 157370641

IUPAC5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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(c2ccccc2)C1=O.CNC1CC(C)(C)CCN(c2ccccn2)C1=O.CNC1CC(C)(C)CCN(c2cccnc2)C1=O.CNC1CC(C)(C)CCN(c2cccnn2)C1=O.CNC1CC(C)(C)CCN(c2ccco2)C1=O.CNC1CC(C)(C)CCN(c2cccs2)C1=O.CNC1CC(C)(C)CCN(c2ccncc2)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(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
InChIInChI=1S/C15H22N2O.3C14H21N3O.C13H22N4O2.3C13H20N4O.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.3C12H19N3O2.C12H19N3OS/c1-15(2)9-10-17(12-7-5-4-6-8-12)14(18)13(11-15)16-3;1-14(2)6-9-17(11-4-7-16-8-5-11)13(18)12(10-14)15-3;1-14(2)6-8-17(11-5-4-7-16-10-11)13(18)12(9-14)15-3;1-14(2)7-9-17(12-6-4-5-8-16-12)13(18)11(10-14)15-3;1-5-10-15-12(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;1-13(2)6-8-17(11-5-4-7-15-16-11)12(18)10(9-13)14-3;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;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/h4-8,13,16H,9-11H2,1-3H3;4-5,7-8,12,15H,6,9-10H2,1-3H3;4-5,7,10,12,15H,6,8-9H2,1-3H3;4-6,8,11,15H,7,9-10H2,1-3H3;9,14H,5-8H2,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;4-5,7,10,14H,6,8-9H2,1-3H3;4-5,7,10,14-15H,6,8-9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;9,13H,5-7H2,1-4H3;4*5,7,9,13H,4,6,8H2,1-3H3
InChIKeyBJSKEYSPLNISHW-UHFFFAOYSA-N
MW3941.34 g/mol
LogP26.44
Rot. Bonds33

About 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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 157370641) has the molecular formula C208H324N50O22S2 and a molecular weight of 3941.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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 CID157370641
Molecular FormulaC208H324N50O22S2
Molecular Weight3941.34 g/mol
Exact Mass3938.52
IUPAC Name5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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(c2ccccc2)C1=O.CNC1CC(C)(C)CCN(c2ccccn2)C1=O.CNC1CC(C)(C)CCN(c2cccnc2)C1=O.CNC1CC(C)(C)CCN(c2cccnn2)C1=O.CNC1CC(C)(C)CCN(c2ccco2)C1=O.CNC1CC(C)(C)CCN(c2cccs2)C1=O.CNC1CC(C)(C)CCN(c2ccncc2)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(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
InChIInChI=1S/C15H22N2O.3C14H21N3O.C13H22N4O2.3C13H20N4O.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.3C12H19N3O2.C12H19N3OS/c1-15(2)9-10-17(12-7-5-4-6-8-12)14(18)13(11-15)16-3;1-14(2)6-9-17(11-4-7-16-8-5-11)13(18)12(10-14)15-3;1-14(2)6-8-17(11-5-4-7-16-10-11)13(18)12(9-14)15-3;1-14(2)7-9-17(12-6-4-5-8-16-12)13(18)11(10-14)15-3;1-5-10-15-12(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;1-13(2)6-8-17(11-5-4-7-15-16-11)12(18)10(9-13)14-3;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;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/h4-8,13,16H,9-11H2,1-3H3;4-5,7-8,12,15H,6,9-10H2,1-3H3;4-5,7,10,12,15H,6,8-9H2,1-3H3;4-6,8,11,15H,7,9-10H2,1-3H3;9,14H,5-8H2,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;4-5,7,10,14H,6,8-9H2,1-3H3;4-5,7,10,14-15H,6,8-9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;9,13H,5-7H2,1-4H3;4*5,7,9,13H,4,6,8H2,1-3H3
InChIKeyBJSKEYSPLNISHW-UHFFFAOYSA-N
XLogP26.44
TPSA831.20 Ų
H-Bond Donors17
H-Bond Acceptors57
Rotatable Bonds33
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003941.34
LogP ≤ 526.44
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1057

Analyze 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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

2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 167532286
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-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
4-benzyl-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-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
bis(5H-cyclopenta[c]pyridazine);icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;bis(furo[3,2-c]pyridazine);bis([1,3]oxazolo[4,5-c]pyridazine);bis([1,3]oxazolo[5,4-c]pyridazine);bis(5H-pyrrolo[2,3-c]pyridazine);bis(7H-pyrrolo[2,3-c]pyridazine);bis([1,3]thiazolo[4,5-c]pyridazine);bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;bis(thieno[3,2-c]pyridazine)
CID 157118018
CID 157120267
CID 157120267
benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157131955
CID 157140927
CID 157140927
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556
CID 157171239
CID 157171239

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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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 157370641) is 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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(c2ccccc2)C1=O.CNC1CC(C)(C)CCN(c2ccccn2)C1=O.CNC1CC(C)(C)CCN(c2cccnc2)C1=O.CNC1CC(C)(C)CCN(c2cccnn2)C1=O.CNC1CC(C)(C)CCN(c2ccco2)C1=O.CNC1CC(C)(C)CCN(c2cccs2)C1=O.CNC1CC(C)(C)CCN(c2ccncc2)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(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.
What is the InChIKey of 5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-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-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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 BJSKEYSPLNISHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.3C14H21N3O.C13H22N4O2.3C13H20N4O.C13H21N3O.C13H20N2O2.C13H20N2OS.C12H20N4O2.3C12H19N3O2.C12H19N3OS/c1-15(2)9-10-17(12-7-5-4-6-8-12)14(18)13(11-15)16-3;1-14(2)6-9-17(11-4-7-16-8-5-11)13(18)12(10-14)15-3;1-14(2)6-8-17(11-5-4-7-16-10-11)13(18)12(9-14)15-3;1-14(2)7-9-17(12-6-4-5-8-16-12)13(18)11(10-14)15-3;1-5-10-15-12(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;1-13(2)6-8-17(11-5-4-7-15-16-11)12(18)10(9-13)14-3;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;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/h4-8,13,16H,9-11H2,1-3H3;4-5,7-8,12,15H,6,9-10H2,1-3H3;4-5,7,10,12,15H,6,8-9H2,1-3H3;4-6,8,11,15H,7,9-10H2,1-3H3;9,14H,5-8H2,1-4H3;5-6,9-10,14H,4,7-8H2,1-3H3;4,6,9-10,14H,5,7-8H2,1-3H3;4-5,7,10,14H,6,8-9H2,1-3H3;4-5,7,10,14-15H,6,8-9H2,1-3H3;2*4-5,8,10,14H,6-7,9H2,1-3H3;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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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 3941.34 g/mol, XLogP of 26.44, 33 rotatable bonds, 17 hydrogen bond donors, and 57 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;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-phenylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-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 157370641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).