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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one)

C176H280N40O21S6 — CID 159624980

IUPAC6,6-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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one)
SMILESCCc1nc(N2CC(C)(C)CCC(NC)C2=O)no1.CNC1CCC(C)(C)CN(c2ccc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2coc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2csc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3OS.C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4OS.3C12H19N3O2.2C12H19N3OS/c1-5-10-15-12(16-19-10)17-8-13(2,3)7-6-9(14-4)11(17)18;2*1-9-15-11(7-18-9)16-8-13(2,3)6-5-10(14-4)12(16)17;1-13(2)7-6-10(14-3)12(17)16(9-13)11-5-4-8-15-11;4*1-13(2)7-6-10(14-3)12(16)15(9-13)11-5-4-8-17-11;1-8-14-11(15-18-8)16-7-12(2,3)6-5-9(13-4)10(16)17;5*1-12(2)5-4-9(13-3)10(16)15(8-12)11-14-6-7-17-11/h9,14H,5-8H2,1-4H3;2*7,10,14H,5-6,8H2,1-4H3;4-5,8,10,14-15H,6-7,9H2,1-3H3;4*4-5,8,10,14H,6-7,9H2,1-3H3;9,13H,5-7H2,1-4H3;5*6-7,9,13H,4-5,8H2,1-3H3
InChIKeyMOJIRTIGFQDJJV-UHFFFAOYSA-N
MW3484.84 g/mol
LogP25.67
Rot. Bonds29

About 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one) (PubChem CID 159624980) has the molecular formula C176H280N40O21S6 and a molecular weight of 3484.84 g/mol. Its IUPAC name is 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one).

Molecular Properties

Compound Name6,6-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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one)
PubChem CID159624980
Molecular FormulaC176H280N40O21S6
Molecular Weight3484.84 g/mol
Exact Mass3482.04
IUPAC Name6,6-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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one)
SMILESCCc1nc(N2CC(C)(C)CCC(NC)C2=O)no1.CNC1CCC(C)(C)CN(c2ccc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2coc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2csc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2nsc(C)n2)C1=O
InChIInChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3OS.C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4OS.3C12H19N3O2.2C12H19N3OS/c1-5-10-15-12(16-19-10)17-8-13(2,3)7-6-9(14-4)11(17)18;2*1-9-15-11(7-18-9)16-8-13(2,3)6-5-10(14-4)12(16)17;1-13(2)7-6-10(14-3)12(17)16(9-13)11-5-4-8-15-11;4*1-13(2)7-6-10(14-3)12(16)15(9-13)11-5-4-8-17-11;1-8-14-11(15-18-8)16-7-12(2,3)6-5-9(13-4)10(16)17;5*1-12(2)5-4-9(13-3)10(16)15(8-12)11-14-6-7-17-11/h9,14H,5-8H2,1-4H3;2*7,10,14H,5-6,8H2,1-4H3;4-5,8,10,14-15H,6-7,9H2,1-3H3;4*4-5,8,10,14H,6-7,9H2,1-3H3;9,13H,5-7H2,1-4H3;5*6-7,9,13H,4-5,8H2,1-3H3
InChIKeyMOJIRTIGFQDJJV-UHFFFAOYSA-N
XLogP25.67
TPSA702.32 Ų
H-Bond Donors15
H-Bond Acceptors52
Rotatable Bonds29
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003484.84
LogP ≤ 525.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1052

Analyze 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-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

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 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one)?
The IUPAC name of 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one) (CID 159624980) is 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one).
What is the SMILES notation for 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one)?
The canonical SMILES for 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one) is CCc1nc(N2CC(C)(C)CCC(NC)C2=O)no1.CNC1CCC(C)(C)CN(c2ccc[nH]2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2ccco2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2cccs2)C1=O.CNC1CCC(C)(C)CN(c2coc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2csc(C)n2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2ncco2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2nccs2)C1=O.CNC1CCC(C)(C)CN(c2nsc(C)n2)C1=O.
What is the InChIKey of 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one)?
The InChIKey is MOJIRTIGFQDJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.C13H21N3O2.C13H21N3OS.C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4OS.3C12H19N3O2.2C12H19N3OS/c1-5-10-15-12(16-19-10)17-8-13(2,3)7-6-9(14-4)11(17)18;2*1-9-15-11(7-18-9)16-8-13(2,3)6-5-10(14-4)12(16)17;1-13(2)7-6-10(14-3)12(17)16(9-13)11-5-4-8-15-11;4*1-13(2)7-6-10(14-3)12(16)15(9-13)11-5-4-8-17-11;1-8-14-11(15-18-8)16-7-12(2,3)6-5-9(13-4)10(16)17;5*1-12(2)5-4-9(13-3)10(16)15(8-12)11-14-6-7-17-11/h9,14H,5-8H2,1-4H3;2*7,10,14H,5-6,8H2,1-4H3;4-5,8,10,14-15H,6-7,9H2,1-3H3;4*4-5,8,10,14H,6-7,9H2,1-3H3;9,13H,5-7H2,1-4H3;5*6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one) has a molecular weight of 3484.84 g/mol, XLogP of 25.67, 29 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(1H-pyrrol-2-yl)azepan-2-one;bis(6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one);bis(6,6-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one);1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;bis(1-(furan-2-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one) is sourced from PubChem (CID 159624980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).