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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one

C230H278N42O21S5 — CID 160875011

IUPAC1-(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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(Cc2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cc[nH]c2)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(c2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2cscn2)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/2C17H21N3O2.C17H21N3OS.C17H21N3O.C17H20N2O2.C17H20N2OS.C16H20N4OS.C16H20N4O.4C16H19N3O2.2C16H19N3OS/c1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)10-14-11-22-12-19-14;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;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;2*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;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15;3*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-7,11-12,15-16,18H,5,8-10H2,1H3;3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2*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);6*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeySMGVOHLSWREWGE-UHFFFAOYSA-N
MW4127.36 g/mol
LogP39.23
Rot. Bonds43

About 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one (PubChem CID 160875011) has the molecular formula C230H278N42O21S5 and a molecular weight of 4127.36 g/mol. Its IUPAC name is 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one.

Molecular Properties

Compound Name1-(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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
PubChem CID160875011
Molecular FormulaC230H278N42O21S5
Molecular Weight4127.36 g/mol
Exact Mass4124.06
IUPAC Name1-(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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCC(c2ccccc2)N(Cc2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cc[nH]c2)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(c2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2cscn2)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/2C17H21N3O2.C17H21N3OS.C17H21N3O.C17H20N2O2.C17H20N2OS.C16H20N4OS.C16H20N4O.4C16H19N3O2.2C16H19N3OS/c1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)10-14-11-22-12-19-14;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;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;2*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;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15;3*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-7,11-12,15-16,18H,5,8-10H2,1H3;3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2*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);6*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
InChIKeySMGVOHLSWREWGE-UHFFFAOYSA-N
XLogP39.23
TPSA731.00 Ų
H-Bond Donors16
H-Bond Acceptors52
Rotatable Bonds43
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004127.36
LogP ≤ 539.23
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1052

Analyze 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-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
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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
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
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CID 157176261
CID 157176261
CID 157184171
CID 157184171
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
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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-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
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CID 157273766
CID 157273766
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778

Frequently Asked Questions

What is the IUPAC name of 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The IUPAC name of 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one (CID 160875011) is 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one.
What is the SMILES notation for 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The canonical SMILES for 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one is CNC1CCCC(c2ccccc2)N(Cc2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2cc[nH]c2)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(c2cocn2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2cscn2)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-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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one?
The InChIKey is SMGVOHLSWREWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H21N3O2.C17H21N3OS.C17H21N3O.C17H20N2O2.C17H20N2OS.C16H20N4OS.C16H20N4O.4C16H19N3O2.2C16H19N3OS/c1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)10-14-11-22-12-19-14;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;1-18-15-8-5-9-16(13-6-3-2-4-7-13)20(17(15)21)14-10-11-19-12-14;2*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;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15;3*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(16(13)20)15-10-21-11-18-15;1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-7,11-12,15-16,18H,5,8-10H2,1H3;3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-7,10-12,15-16,18-19H,5,8-9H2,1H3;2*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);6*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3.
What are the key properties of 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one has a molecular weight of 4127.36 g/mol, XLogP of 39.23, 43 rotatable bonds, 16 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-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-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one is sourced from PubChem (CID 160875011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).