4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one

C197H292N44O22S — CID 157192167

IUPAC4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one
SMILESCCc1nc(N2C(=O)C(NC)CCC3CCCC32)no1.CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCOC1C.CNC1C(=O)N(CC2=CC=CC2(C)C)CCOC1C.CNC1C(=O)N(Cc2cnc(C)o2)CCOC1C.CNC1C(=O)N(Cc2cnc(C)s2)CCOC1C.CNC1CCC2CCCC2N(c2ccccc2)C1=O.CNC1CCC2CCCC2N(c2ccccn2)C1=O.CNC1CCC2CCCC2N(c2cccnc2)C1=O.CNC1CCC2CCCC2N(c2cccnn2)C1=O.CNC1CCC2CCCC2N(c2ccncc2)C1=O.CNC1CCC2CCCC2N(c2ccncn2)C1=O.CNC1CCC2CCCC2N(c2cnccn2)C1=O.CNC1CCC2CCCC2N(c2ncco2)C1=O.CNC1CCC2CCCC2N(c2noc(C)n2)C1=O
InChIInChI=1S/C16H22N2O.3C15H21N3O.2C15H24N2O2.C14H22N4O2.3C14H20N4O.C13H20N4O2.C13H19N3O2.C12H19N3O3.C12H19N3O2S/c1-17-14-11-10-12-6-5-9-15(12)18(16(14)19)13-7-3-2-4-8-13;1-16-13-8-7-11-4-2-6-14(11)18(15(13)19)12-5-3-9-17-10-12;1-16-12-9-8-11-5-4-6-13(11)18(15(12)19)14-7-2-3-10-17-14;1-16-13-6-5-11-3-2-4-14(11)18(15(13)19)12-7-9-17-10-8-12;1-11-13(16-4)14(18)17(7-8-19-11)10-12-5-6-15(2,3)9-12;1-11-13(16-4)14(18)17(8-9-19-11)10-12-6-5-7-15(12,2)3;1-3-12-16-14(17-20-12)18-11-6-4-5-9(11)7-8-10(15-2)13(18)19;1-15-11-8-7-10-4-2-5-12(10)18(14(11)19)13-6-3-9-16-17-13;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)13-9-16-7-8-17-13;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)13-7-8-16-9-17-13;1-8-15-13(16-19-8)17-11-5-3-4-9(11)6-7-10(14-2)12(17)18;1-14-10-6-5-9-3-2-4-11(9)16(12(10)17)13-15-7-8-18-13;2*1-8-11(13-3)12(16)15(4-5-17-8)7-10-6-14-9(2)18-10/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3;3,5,9-11,13-14,16H,2,4,6-8H2,1H3;2-3,7,10-13,16H,4-6,8-9H2,1H3;7-11,13-14,16H,2-6H2,1H3;5-6,9,11,13,16H,7-8,10H2,1-4H3;5-7,11,13,16H,8-10H2,1-4H3;9-11,15H,3-8H2,1-2H3;3,6,9-12,15H,2,4-5,7-8H2,1H3;2*7-12,15H,2-6H2,1H3;9-11,14H,3-7H2,1-2H3;7-11,14H,2-6H2,1H3;2*6,8,11,13H,4-5,7H2,1-3H3
InChIKeyAPVBVQYRZMSDIJ-UHFFFAOYSA-N
MW3660.86 g/mol
LogP20.67
Rot. Bonds33

About 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one

4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one (PubChem CID 157192167) has the molecular formula C197H292N44O22S and a molecular weight of 3660.86 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one
PubChem CID157192167
Molecular FormulaC197H292N44O22S
Molecular Weight3660.86 g/mol
Exact Mass3658.28
IUPAC Name4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one
SMILESCCc1nc(N2C(=O)C(NC)CCC3CCCC32)no1.CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCOC1C.CNC1C(=O)N(CC2=CC=CC2(C)C)CCOC1C.CNC1C(=O)N(Cc2cnc(C)o2)CCOC1C.CNC1C(=O)N(Cc2cnc(C)s2)CCOC1C.CNC1CCC2CCCC2N(c2ccccc2)C1=O.CNC1CCC2CCCC2N(c2ccccn2)C1=O.CNC1CCC2CCCC2N(c2cccnc2)C1=O.CNC1CCC2CCCC2N(c2cccnn2)C1=O.CNC1CCC2CCCC2N(c2ccncc2)C1=O.CNC1CCC2CCCC2N(c2ccncn2)C1=O.CNC1CCC2CCCC2N(c2cnccn2)C1=O.CNC1CCC2CCCC2N(c2ncco2)C1=O.CNC1CCC2CCCC2N(c2noc(C)n2)C1=O
InChIInChI=1S/C16H22N2O.3C15H21N3O.2C15H24N2O2.C14H22N4O2.3C14H20N4O.C13H20N4O2.C13H19N3O2.C12H19N3O3.C12H19N3O2S/c1-17-14-11-10-12-6-5-9-15(12)18(16(14)19)13-7-3-2-4-8-13;1-16-13-8-7-11-4-2-6-14(11)18(15(13)19)12-5-3-9-17-10-12;1-16-12-9-8-11-5-4-6-13(11)18(15(12)19)14-7-2-3-10-17-14;1-16-13-6-5-11-3-2-4-14(11)18(15(13)19)12-7-9-17-10-8-12;1-11-13(16-4)14(18)17(7-8-19-11)10-12-5-6-15(2,3)9-12;1-11-13(16-4)14(18)17(8-9-19-11)10-12-6-5-7-15(12,2)3;1-3-12-16-14(17-20-12)18-11-6-4-5-9(11)7-8-10(15-2)13(18)19;1-15-11-8-7-10-4-2-5-12(10)18(14(11)19)13-6-3-9-16-17-13;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)13-9-16-7-8-17-13;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)13-7-8-16-9-17-13;1-8-15-13(16-19-8)17-11-5-3-4-9(11)6-7-10(14-2)12(17)18;1-14-10-6-5-9-3-2-4-11(9)16(12(10)17)13-15-7-8-18-13;2*1-8-11(13-3)12(16)15(4-5-17-8)7-10-6-14-9(2)18-10/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3;3,5,9-11,13-14,16H,2,4,6-8H2,1H3;2-3,7,10-13,16H,4-6,8-9H2,1H3;7-11,13-14,16H,2-6H2,1H3;5-6,9,11,13,16H,7-8,10H2,1-4H3;5-7,11,13,16H,8-10H2,1-4H3;9-11,15H,3-8H2,1-2H3;3,6,9-12,15H,2,4-5,7-8H2,1H3;2*7-12,15H,2-6H2,1H3;9-11,14H,3-7H2,1-2H3;7-11,14H,2-6H2,1H3;2*6,8,11,13H,4-5,7H2,1-3H3
InChIKeyAPVBVQYRZMSDIJ-UHFFFAOYSA-N
XLogP20.67
TPSA748.48 Ų
H-Bond Donors14
H-Bond Acceptors53
Rotatable Bonds33
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003660.86
LogP ≤ 520.67
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1053

Analyze 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one?
The IUPAC name of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one (CID 157192167) is 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one?
The canonical SMILES for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one is CCc1nc(N2C(=O)C(NC)CCC3CCCC32)no1.CNC1C(=O)N(CC2=CC(C)(C)C=C2)CCOC1C.CNC1C(=O)N(CC2=CC=CC2(C)C)CCOC1C.CNC1C(=O)N(Cc2cnc(C)o2)CCOC1C.CNC1C(=O)N(Cc2cnc(C)s2)CCOC1C.CNC1CCC2CCCC2N(c2ccccc2)C1=O.CNC1CCC2CCCC2N(c2ccccn2)C1=O.CNC1CCC2CCCC2N(c2cccnc2)C1=O.CNC1CCC2CCCC2N(c2cccnn2)C1=O.CNC1CCC2CCCC2N(c2ccncc2)C1=O.CNC1CCC2CCCC2N(c2ccncn2)C1=O.CNC1CCC2CCCC2N(c2cnccn2)C1=O.CNC1CCC2CCCC2N(c2ncco2)C1=O.CNC1CCC2CCCC2N(c2noc(C)n2)C1=O.
What is the InChIKey of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one?
The InChIKey is APVBVQYRZMSDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.3C15H21N3O.2C15H24N2O2.C14H22N4O2.3C14H20N4O.C13H20N4O2.C13H19N3O2.C12H19N3O3.C12H19N3O2S/c1-17-14-11-10-12-6-5-9-15(12)18(16(14)19)13-7-3-2-4-8-13;1-16-13-8-7-11-4-2-6-14(11)18(15(13)19)12-5-3-9-17-10-12;1-16-12-9-8-11-5-4-6-13(11)18(15(12)19)14-7-2-3-10-17-14;1-16-13-6-5-11-3-2-4-14(11)18(15(13)19)12-7-9-17-10-8-12;1-11-13(16-4)14(18)17(7-8-19-11)10-12-5-6-15(2,3)9-12;1-11-13(16-4)14(18)17(8-9-19-11)10-12-6-5-7-15(12,2)3;1-3-12-16-14(17-20-12)18-11-6-4-5-9(11)7-8-10(15-2)13(18)19;1-15-11-8-7-10-4-2-5-12(10)18(14(11)19)13-6-3-9-16-17-13;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)13-9-16-7-8-17-13;1-15-11-6-5-10-3-2-4-12(10)18(14(11)19)13-7-8-16-9-17-13;1-8-15-13(16-19-8)17-11-5-3-4-9(11)6-7-10(14-2)12(17)18;1-14-10-6-5-9-3-2-4-11(9)16(12(10)17)13-15-7-8-18-13;2*1-8-11(13-3)12(16)15(4-5-17-8)7-10-6-14-9(2)18-10/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3;3,5,9-11,13-14,16H,2,4,6-8H2,1H3;2-3,7,10-13,16H,4-6,8-9H2,1H3;7-11,13-14,16H,2-6H2,1H3;5-6,9,11,13,16H,7-8,10H2,1-4H3;5-7,11,13,16H,8-10H2,1-4H3;9-11,15H,3-8H2,1-2H3;3,6,9-12,15H,2,4-5,7-8H2,1H3;2*7-12,15H,2-6H2,1H3;9-11,14H,3-7H2,1-2H3;7-11,14H,2-6H2,1H3;2*6,8,11,13H,4-5,7H2,1-3H3.
What are the key properties of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one?
4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one has a molecular weight of 3660.86 g/mol, XLogP of 20.67, 33 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-phenyl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrazin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridazin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-2-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-3-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyridin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-pyrimidin-4-yl-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one is sourced from PubChem (CID 157192167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).