1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one

C232H280N40O20S5 — CID 159734493

IUPAC1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(c2cc[nH]c2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccco2)C1=O.CNC1CCCC(c2ccccc2)N(c2cccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccoc2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccsc2)C1=O.CNC1CCCC(c2ccccc2)N(c2cnc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2coc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2nccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2nsc(C)n2)C1=O
InChIInChI=1S/C17H21N3O2.C17H21N3OS.2C17H21N3O.2C17H20N2O2.2C17H20N2OS.C16H20N4OS.C16H20N4O.3C16H19N3O2.C16H19N3OS/c2*1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-14-9-5-10-15(13-7-3-2-4-8-13)20(17(14)21)16-11-6-12-19-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;1-11-18-16(19-22-11)20-14(12-7-4-3-5-8-12)10-6-9-13(17-2)15(20)21;1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)15-10-18-11-19-15;4*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h2*3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-8,11-12,14-15,18-19H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;3-5,7-8,13-14,17H,6,9-10H2,1-2H3;2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3,(H,18,19);4*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeyNBQVQICIWMIUBO-UHFFFAOYSA-N
MW4109.39 g/mol
LogP40.79
Rot. Bonds42

About 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one

1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one (PubChem CID 159734493) has the molecular formula C232H280N40O20S5 and a molecular weight of 4109.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
PubChem CID159734493
Molecular FormulaC232H280N40O20S5
Molecular Weight4109.39 g/mol
Exact Mass4106.07
IUPAC Name1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(c2cc[nH]c2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccco2)C1=O.CNC1CCCC(c2ccccc2)N(c2cccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccoc2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccsc2)C1=O.CNC1CCCC(c2ccccc2)N(c2cnc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2coc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2nccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2nsc(C)n2)C1=O
InChIInChI=1S/C17H21N3O2.C17H21N3OS.2C17H21N3O.2C17H20N2O2.2C17H20N2OS.C16H20N4OS.C16H20N4O.3C16H19N3O2.C16H19N3OS/c2*1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-14-9-5-10-15(13-7-3-2-4-8-13)20(17(14)21)16-11-6-12-19-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;1-11-18-16(19-22-11)20-14(12-7-4-3-5-8-12)10-6-9-13(17-2)15(20)21;1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)15-10-18-11-19-15;4*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h2*3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-8,11-12,14-15,18-19H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;3-5,7-8,13-14,17H,6,9-10H2,1-2H3;2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3,(H,18,19);4*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeyNBQVQICIWMIUBO-UHFFFAOYSA-N
XLogP40.79
TPSA694.98 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds42
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004109.39
LogP ≤ 540.79
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Analyze 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one with MolForge

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Related Compounds

2-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-pyridin-2-yl-6-pyrrolidin-1-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperazin-2-yl]-1,3-oxazole
CID 141284523
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
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-(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
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
CID 157120267
CID 157120267
CID 157140927
CID 157140927
1-(1H-imidazol-2-ylmethyl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 157162473
CID 157176261
CID 157176261
CID 157184171
CID 157184171
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
3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one
CID 157237857

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The IUPAC name of 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one (CID 159734493) is 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The canonical SMILES for 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one is CNC1CCCC(c2ccccc2)N(c2cc[nH]c2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccco2)C1=O.CNC1CCCC(c2ccccc2)N(c2cccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccoc2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccsc2)C1=O.CNC1CCCC(c2ccccc2)N(c2cnc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2coc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2nccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2nsc(C)n2)C1=O.
What is the InChIKey of 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The InChIKey is NBQVQICIWMIUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.C17H21N3OS.2C17H21N3O.2C17H20N2O2.2C17H20N2OS.C16H20N4OS.C16H20N4O.3C16H19N3O2.C16H19N3OS/c2*1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-14-9-5-10-15(13-7-3-2-4-8-13)20(17(14)21)16-11-6-12-19-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-18-15-8-5-9-16(13-6-3-2-4-7-13)19(17(15)20)14-10-11-21-12-14;1-11-18-16(19-22-11)20-14(12-7-4-3-5-8-12)10-6-9-13(17-2)15(20)21;1-17-13-8-5-9-14(12-6-3-2-4-7-12)20(16(13)21)15-10-18-11-19-15;4*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h2*3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-8,11-12,14-15,18-19H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;2-4,6-7,10-12,15-16,18H,5,8-9H2,1H3;3-5,7-8,13-14,17H,6,9-10H2,1-2H3;2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3,(H,18,19);4*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one has a molecular weight of 4109.39 g/mol, XLogP of 40.79, 42 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one is sourced from PubChem (CID 159734493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).