1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one

C164H260N50O21S4 — CID 160790731

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
SMILESCCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCCC(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)N(Cc2cocn2)C1=O.CNC1CCCC(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)N(Cc2ncncn2)C1=O.CNC1CCCC(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)N(c2cocn2)C1=O.CNC1CCCC(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nsc(C)n2)C1=O
InChIInChI=1S/2C13H20N4O.C12H19N5O.C12H20N4O2.2C12H19N3O2.2C12H19N3OS.C11H18N4O2.2C11H18N4OS.3C11H17N3O2/c1-10-4-3-5-12(14-2)13(18)17(10)9-11-8-15-6-7-16-11;1-10-4-3-5-12(14-2)13(18)17(10)8-11-6-7-15-9-16-11;1-9-4-3-5-10(13-2)12(18)17(9)6-11-15-7-14-8-16-11;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;1-8-4-3-5-9(12-2)11(15)14(8)10-6-16-7-13-10;2*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h6-8,10,12,14H,3-5,9H2,1-2H3;6-7,9-10,12,14H,3-5,8H2,1-2H3;7-10,13H,3-6H2,1-2H3;8-9,13H,4-7H2,1-3H3;7-8,10,13H,4-6H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;7-8,10,13H,4-6H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;7-9,12H,3-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;7-9,12H,3-6H2,1-2H3;3*6-9,12H,3-5H2,1-2H3
InChIKeySBUHDPWIUYBNAP-UHFFFAOYSA-N
MW3396.48 g/mol
LogP16.06
Rot. Bonds36

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one (PubChem CID 160790731) has the molecular formula C164H260N50O21S4 and a molecular weight of 3396.48 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
PubChem CID160790731
Molecular FormulaC164H260N50O21S4
Molecular Weight3396.48 g/mol
Exact Mass3393.97
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
SMILESCCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCCC(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)N(Cc2cocn2)C1=O.CNC1CCCC(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)N(Cc2ncncn2)C1=O.CNC1CCCC(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)N(c2cocn2)C1=O.CNC1CCCC(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nsc(C)n2)C1=O
InChIInChI=1S/2C13H20N4O.C12H19N5O.C12H20N4O2.2C12H19N3O2.2C12H19N3OS.C11H18N4O2.2C11H18N4OS.3C11H17N3O2/c1-10-4-3-5-12(14-2)13(18)17(10)9-11-8-15-6-7-16-11;1-10-4-3-5-12(14-2)13(18)17(10)8-11-6-7-15-9-16-11;1-9-4-3-5-10(13-2)12(18)17(9)6-11-15-7-14-8-16-11;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;1-8-4-3-5-9(12-2)11(15)14(8)10-6-16-7-13-10;2*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h6-8,10,12,14H,3-5,9H2,1-2H3;6-7,9-10,12,14H,3-5,8H2,1-2H3;7-10,13H,3-6H2,1-2H3;8-9,13H,4-7H2,1-3H3;7-8,10,13H,4-6H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;7-8,10,13H,4-6H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;7-9,12H,3-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;7-9,12H,3-6H2,1-2H3;3*6-9,12H,3-5H2,1-2H3
InChIKeySBUHDPWIUYBNAP-UHFFFAOYSA-N
XLogP16.06
TPSA828.32 Ų
H-Bond Donors14
H-Bond Acceptors61
Rotatable Bonds36
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003396.48
LogP ≤ 516.06
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1061

Analyze 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one with MolForge

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Related Compounds

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)-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)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;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 157194461
7,7-Dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 157307019
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);4-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
CID 157379863
6,6-Dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)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-pyrazin-2-ylazepan-2-one;6,6-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157900238
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)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-pyrazin-2-ylazepan-2-one;6-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 157901428
CID 157919784
CID 157919784
6-(5-ethyl-1,2,4-oxadiazol-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one);8-(methylamino)-6-pyrazin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyrimidin-4-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 157979681
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-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 158048663
CID 158147390
CID 158147390
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);4-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 158259030
1-(5-Ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 158626469

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one (CID 160790731) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one is CCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCCC(C)N(Cc2ccncn2)C1=O.CNC1CCCC(C)N(Cc2cnccn2)C1=O.CNC1CCCC(C)N(Cc2cocn2)C1=O.CNC1CCCC(C)N(Cc2cscn2)C1=O.CNC1CCCC(C)N(Cc2ncncn2)C1=O.CNC1CCCC(C)N(Cc2ncon2)C1=O.CNC1CCCC(C)N(Cc2ncsn2)C1=O.CNC1CCCC(C)N(c2coc(C)n2)C1=O.CNC1CCCC(C)N(c2cocn2)C1=O.CNC1CCCC(C)N(c2csc(C)n2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nsc(C)n2)C1=O.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
The InChIKey is SBUHDPWIUYBNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N4O.C12H19N5O.C12H20N4O2.2C12H19N3O2.2C12H19N3OS.C11H18N4O2.2C11H18N4OS.3C11H17N3O2/c1-10-4-3-5-12(14-2)13(18)17(10)9-11-8-15-6-7-16-11;1-10-4-3-5-12(14-2)13(18)17(10)8-11-6-7-15-9-16-11;1-9-4-3-5-10(13-2)12(18)17(9)6-11-15-7-14-8-16-11;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;1-8-5-4-6-10(13-3)12(16)15(8)11-7-17-9(2)14-11;1-9-4-3-5-11(13-2)12(16)15(9)6-10-7-17-8-14-10;1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;1-8-4-3-5-9(12-2)11(16)15(8)6-10-13-7-17-14-10;1-8-4-3-5-9(12-2)11(15)14(8)10-6-16-7-13-10;2*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h6-8,10,12,14H,3-5,9H2,1-2H3;6-7,9-10,12,14H,3-5,8H2,1-2H3;7-10,13H,3-6H2,1-2H3;8-9,13H,4-7H2,1-3H3;7-8,10,13H,4-6H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;7-8,10,13H,4-6H2,1-3H3;7-9,11,13H,3-6H2,1-2H3;7-9,12H,3-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;7-9,12H,3-6H2,1-2H3;3*6-9,12H,3-5H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one has a molecular weight of 3396.48 g/mol, XLogP of 16.06, 36 rotatable bonds, 14 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 160790731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).