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

C174H274N50O25S3 — CID 157379863

IUPAC1-(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
SMILESCCc1nc(N2CCCC(C)C(NC)C2=O)no1.CNC1C(=O)N(Cc2ccno2)CCCC1C.CNC1C(=O)N(Cc2cnco2)CCCC1C.CNC1C(=O)N(Cc2cncs2)CCCC1C.CNC1C(=O)N(Cc2cocn2)CCCC1C.CNC1C(=O)N(c2ccncn2)CCCC1C.CNC1C(=O)N(c2cnccn2)CCCC1C.CNC1C(=O)N(c2coc(C)n2)CCCC1C.CNC1C(=O)N(c2cocn2)CCCC1C.CNC1C(=O)N(c2csc(C)n2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2noc(C)n2)CCCC1C.CNC1C(=O)N(c2nsc(C)n2)CCCC1C
InChIInChI=1S/C12H20N4O2.2C12H18N4O.4C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS.4C11H17N3O2/c1-4-9-14-12(15-18-9)16-7-5-6-8(2)10(13-3)11(16)17;1-9-4-3-7-16(12(17)11(9)13-2)10-8-14-5-6-15-10;1-9-4-3-7-16(12(17)11(9)13-2)10-5-6-14-8-15-10;1-8-5-4-6-15(12(16)11(8)13-3)10-7-17-9(2)14-10;1-9-4-3-7-15(12(16)11(9)13-2)8-10-5-6-14-17-10;1-9-4-3-5-15(12(16)11(9)13-2)6-10-7-17-8-14-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;1-8-5-4-6-15(12(16)11(8)13-3)10-7-17-9(2)14-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;2*1-7-5-4-6-15(10(16)9(7)12-3)11-13-8(2)17-14-11;3*1-8-4-3-6-14(10(15)9(8)12-2)11-13-5-7-16-11;1-8-4-3-5-14(9-6-16-7-13-9)11(15)10(8)12-2/h8,10,13H,4-7H2,1-3H3;2*5-6,8-9,11,13H,3-4,7H2,1-2H3;7-8,11,13H,4-6H2,1-3H3;5-6,9,11,13H,3-4,7-8H2,1-2H3;7-9,11,13H,3-6H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;7-8,11,13H,4-6H2,1-3H3;6,8-9,11,13H,3-5,7H2,1-2H3;2*7,9,12H,4-6H2,1-3H3;3*5,7-9,12H,3-4,6H2,1-2H3;6-8,10,12H,3-5H2,1-2H3
InChIKeyBKTFIKVJWQDJPT-UHFFFAOYSA-N
MW3562.63 g/mol
LogP16.36
Rot. Bonds35

About 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

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 (PubChem CID 157379863) has the molecular formula C174H274N50O25S3 and a molecular weight of 3562.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157379863
Molecular FormulaC174H274N50O25S3
Molecular Weight3562.63 g/mol
Exact Mass3560.09
IUPAC Name1-(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
SMILESCCc1nc(N2CCCC(C)C(NC)C2=O)no1.CNC1C(=O)N(Cc2ccno2)CCCC1C.CNC1C(=O)N(Cc2cnco2)CCCC1C.CNC1C(=O)N(Cc2cncs2)CCCC1C.CNC1C(=O)N(Cc2cocn2)CCCC1C.CNC1C(=O)N(c2ccncn2)CCCC1C.CNC1C(=O)N(c2cnccn2)CCCC1C.CNC1C(=O)N(c2coc(C)n2)CCCC1C.CNC1C(=O)N(c2cocn2)CCCC1C.CNC1C(=O)N(c2csc(C)n2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2noc(C)n2)CCCC1C.CNC1C(=O)N(c2nsc(C)n2)CCCC1C
InChIInChI=1S/C12H20N4O2.2C12H18N4O.4C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS.4C11H17N3O2/c1-4-9-14-12(15-18-9)16-7-5-6-8(2)10(13-3)11(16)17;1-9-4-3-7-16(12(17)11(9)13-2)10-8-14-5-6-15-10;1-9-4-3-7-16(12(17)11(9)13-2)10-5-6-14-8-15-10;1-8-5-4-6-15(12(16)11(8)13-3)10-7-17-9(2)14-10;1-9-4-3-7-15(12(16)11(9)13-2)8-10-5-6-14-17-10;1-9-4-3-5-15(12(16)11(9)13-2)6-10-7-17-8-14-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;1-8-5-4-6-15(12(16)11(8)13-3)10-7-17-9(2)14-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;2*1-7-5-4-6-15(10(16)9(7)12-3)11-13-8(2)17-14-11;3*1-8-4-3-6-14(10(15)9(8)12-2)11-13-5-7-16-11;1-8-4-3-5-14(9-6-16-7-13-9)11(15)10(8)12-2/h8,10,13H,4-7H2,1-3H3;2*5-6,8-9,11,13H,3-4,7H2,1-2H3;7-8,11,13H,4-6H2,1-3H3;5-6,9,11,13H,3-4,7-8H2,1-2H3;7-9,11,13H,3-6H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;7-8,11,13H,4-6H2,1-3H3;6,8-9,11,13H,3-5,7H2,1-2H3;2*7,9,12H,4-6H2,1-3H3;3*5,7-9,12H,3-4,6H2,1-2H3;6-8,10,12H,3-5H2,1-2H3
InChIKeyBKTFIKVJWQDJPT-UHFFFAOYSA-N
XLogP16.36
TPSA874.30 Ų
H-Bond Donors15
H-Bond Acceptors63
Rotatable Bonds35
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003562.63
LogP ≤ 516.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1063

Analyze 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 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
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;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
CID 157436723
CID 157436723
1-(furan-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157564832
6,6-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157777925
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
1-(furan-3-yl)-6-methyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-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;6-methyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157926986
4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 157965864
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc(N2CCCC(C)C(NC)C2=O)no1.CNC1C(=O)N(Cc2ccno2)CCCC1C.CNC1C(=O)N(Cc2cnco2)CCCC1C.CNC1C(=O)N(Cc2cncs2)CCCC1C.CNC1C(=O)N(Cc2cocn2)CCCC1C.CNC1C(=O)N(c2ccncn2)CCCC1C.CNC1C(=O)N(c2cnccn2)CCCC1C.CNC1C(=O)N(c2coc(C)n2)CCCC1C.CNC1C(=O)N(c2cocn2)CCCC1C.CNC1C(=O)N(c2csc(C)n2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2noc(C)n2)CCCC1C.CNC1C(=O)N(c2nsc(C)n2)CCCC1C.
What is the InChIKey of 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?
The InChIKey is BKTFIKVJWQDJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.2C12H18N4O.4C12H19N3O2.2C12H19N3OS.C11H18N4O2.C11H18N4OS.4C11H17N3O2/c1-4-9-14-12(15-18-9)16-7-5-6-8(2)10(13-3)11(16)17;1-9-4-3-7-16(12(17)11(9)13-2)10-8-14-5-6-15-10;1-9-4-3-7-16(12(17)11(9)13-2)10-5-6-14-8-15-10;1-8-5-4-6-15(12(16)11(8)13-3)10-7-17-9(2)14-10;1-9-4-3-7-15(12(16)11(9)13-2)8-10-5-6-14-17-10;1-9-4-3-5-15(12(16)11(9)13-2)6-10-7-17-8-14-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;1-8-5-4-6-15(12(16)11(8)13-3)10-7-17-9(2)14-10;1-9-4-3-5-15(12(16)11(9)13-2)7-10-6-14-8-17-10;2*1-7-5-4-6-15(10(16)9(7)12-3)11-13-8(2)17-14-11;3*1-8-4-3-6-14(10(15)9(8)12-2)11-13-5-7-16-11;1-8-4-3-5-14(9-6-16-7-13-9)11(15)10(8)12-2/h8,10,13H,4-7H2,1-3H3;2*5-6,8-9,11,13H,3-4,7H2,1-2H3;7-8,11,13H,4-6H2,1-3H3;5-6,9,11,13H,3-4,7-8H2,1-2H3;7-9,11,13H,3-6H2,1-2H3;6,8-9,11,13H,3-5,7H2,1-2H3;7-8,11,13H,4-6H2,1-3H3;6,8-9,11,13H,3-5,7H2,1-2H3;2*7,9,12H,4-6H2,1-3H3;3*5,7-9,12H,3-4,6H2,1-2H3;6-8,10,12H,3-5H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3562.63 g/mol, XLogP of 16.36, 35 rotatable bonds, 15 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157379863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).