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

C165H267N45O20S4 — CID 162080898

IUPAC5,5-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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(Cc2ccncn2)C1=O.CNC1CC(C)(C)CCN(Cc2cnccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cocn2)C1=O.CNC1CC(C)(C)CCN(Cc2cscn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncon2)C1=O.CNC1CC(C)(C)CCN(Cc2ncsn2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cocn2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/2C14H22N4O.C13H22N4O2.2C13H21N3O2.2C13H21N3OS.C12H20N4O2.2C12H20N4OS.3C12H19N3O2/c1-14(2)4-7-18(13(19)12(8-14)15-3)10-11-9-16-5-6-17-11;1-14(2)5-7-18(13(19)12(8-14)15-3)9-11-4-6-16-10-17-11;1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;2*1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3;1-12(2)4-5-15(10-7-17-8-14-10)11(16)9(6-12)13-3/h5-6,9,12,15H,4,7-8,10H2,1-3H3;4,6,10,12,15H,5,7-9H2,1-3H3;9,14H,5-8H2,1-4H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8-9,13H,4-7H2,1-3H3;9,13H,5-7H2,1-4H3;8-9,13H,4-7H2,1-3H3;2*5,7,9,13H,4,6,8H2,1-3H3;7-9,13H,4-6H2,1-3H3
InChIKeyZCICITPBCMCYRA-UHFFFAOYSA-N
MW3329.51 g/mol
LogP18.92
Rot. Bonds33

About 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 162080898) has the molecular formula C165H267N45O20S4 and a molecular weight of 3329.51 g/mol. Its IUPAC name is 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name5,5-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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
PubChem CID162080898
Molecular FormulaC165H267N45O20S4
Molecular Weight3329.51 g/mol
Exact Mass3327.01
IUPAC Name5,5-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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
SMILESCCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(Cc2ccncn2)C1=O.CNC1CC(C)(C)CCN(Cc2cnccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cocn2)C1=O.CNC1CC(C)(C)CCN(Cc2cscn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncon2)C1=O.CNC1CC(C)(C)CCN(Cc2ncsn2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cocn2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O
InChIInChI=1S/2C14H22N4O.C13H22N4O2.2C13H21N3O2.2C13H21N3OS.C12H20N4O2.2C12H20N4OS.3C12H19N3O2/c1-14(2)4-7-18(13(19)12(8-14)15-3)10-11-9-16-5-6-17-11;1-14(2)5-7-18(13(19)12(8-14)15-3)9-11-4-6-16-10-17-11;1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;2*1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3;1-12(2)4-5-15(10-7-17-8-14-10)11(16)9(6-12)13-3/h5-6,9,12,15H,4,7-8,10H2,1-3H3;4,6,10,12,15H,5,7-9H2,1-3H3;9,14H,5-8H2,1-4H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8-9,13H,4-7H2,1-3H3;9,13H,5-7H2,1-4H3;8-9,13H,4-7H2,1-3H3;2*5,7,9,13H,4,6,8H2,1-3H3;7-9,13H,4-6H2,1-3H3
InChIKeyZCICITPBCMCYRA-UHFFFAOYSA-N
XLogP18.92
TPSA757.31 Ų
H-Bond Donors13
H-Bond Acceptors56
Rotatable Bonds33
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003329.51
LogP ≤ 518.92
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1056

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

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Frequently Asked Questions

What is the IUPAC name of 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one (CID 162080898) is 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is CCc1nc(N2CCC(C)(C)CC(NC)C2=O)no1.CNC1CC(C)(C)CCN(Cc2ccncn2)C1=O.CNC1CC(C)(C)CCN(Cc2cnccn2)C1=O.CNC1CC(C)(C)CCN(Cc2cocn2)C1=O.CNC1CC(C)(C)CCN(Cc2cscn2)C1=O.CNC1CC(C)(C)CCN(Cc2ncon2)C1=O.CNC1CC(C)(C)CCN(Cc2ncsn2)C1=O.CNC1CC(C)(C)CCN(c2coc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2cocn2)C1=O.CNC1CC(C)(C)CCN(c2csc(C)n2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2ncco2)C1=O.CNC1CC(C)(C)CCN(c2nsc(C)n2)C1=O.
What is the InChIKey of 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is ZCICITPBCMCYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22N4O.C13H22N4O2.2C13H21N3O2.2C13H21N3OS.C12H20N4O2.2C12H20N4OS.3C12H19N3O2/c1-14(2)4-7-18(13(19)12(8-14)15-3)10-11-9-16-5-6-17-11;1-14(2)5-7-18(13(19)12(8-14)15-3)9-11-4-6-16-10-17-11;1-5-10-15-12(16-19-10)17-7-6-13(2,3)8-9(14-4)11(17)18;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-9-15-11(8-18-9)16-6-5-13(2,3)7-10(14-4)12(16)17;1-13(2)4-5-16(7-10-8-18-9-15-10)12(17)11(6-13)14-3;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;1-8-14-11(15-18-8)16-6-5-12(2,3)7-9(13-4)10(16)17;1-12(2)4-5-16(7-10-14-8-18-15-10)11(17)9(6-12)13-3;2*1-12(2)4-6-15(11-14-5-7-17-11)10(16)9(8-12)13-3;1-12(2)4-5-15(10-7-17-8-14-10)11(16)9(6-12)13-3/h5-6,9,12,15H,4,7-8,10H2,1-3H3;4,6,10,12,15H,5,7-9H2,1-3H3;9,14H,5-8H2,1-4H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8,10,14H,5-7H2,1-4H3;8-9,11,14H,4-7H2,1-3H3;8-9,13H,4-7H2,1-3H3;9,13H,5-7H2,1-4H3;8-9,13H,4-7H2,1-3H3;2*5,7,9,13H,4,6,8H2,1-3H3;7-9,13H,4-6H2,1-3H3.
What are the key properties of 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 3329.51 g/mol, XLogP of 18.92, 33 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 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;5,5-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;bis(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 162080898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).