1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one

C192H292N50O22S2 — CID 158174757

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
SMILESCCc1nc(N2CCC(C)CC(NC)C2=O)no1.CNC1CC(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)CCN(c2ccccc2)C1=O.CNC1CC(C)CCN(c2ccccn2)C1=O.CNC1CC(C)CCN(c2cccnc2)C1=O.CNC1CC(C)CCN(c2cccnn2)C1=O.CNC1CC(C)CCN(c2ccco2)C1=O.CNC1CC(C)CCN(c2cccs2)C1=O.CNC1CC(C)CCN(c2ccncc2)C1=O.CNC1CC(C)CCN(c2ccncn2)C1=O.CNC1CC(C)CCN(c2cnccn2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2nccs2)C1=O.CNC1CC(C)CCN(c2noc(C)n2)C1=O
InChIInChI=1S/C14H20N2O.3C13H19N3O.C12H20N4O2.3C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.3C11H17N3O2.C11H17N3OS/c1-11-8-9-16(12-6-4-3-5-7-12)14(17)13(10-11)15-2;1-10-5-8-16(11-3-6-15-7-4-11)13(17)12(9-10)14-2;1-10-5-7-16(11-4-3-6-15-9-11)13(17)12(8-10)14-2;1-10-6-8-16(12-5-3-4-7-15-12)13(17)11(9-10)14-2;1-4-10-14-12(15-18-10)16-6-5-8(2)7-9(13-3)11(16)17;1-9-3-6-16(11-8-14-4-5-15-11)12(17)10(7-9)13-2;1-9-4-6-16(11-3-5-14-8-15-11)12(17)10(7-9)13-2;1-9-5-7-16(11-4-3-6-14-15-11)12(17)10(8-9)13-2;1-9-5-7-15(11-4-3-6-14-11)12(16)10(8-9)13-2;2*1-9-5-6-14(11-4-3-7-16-11)12(15)10(8-9)13-2;1-7-4-5-15(10(16)9(6-7)12-3)11-13-8(2)17-14-11;4*1-8-3-5-14(11-13-4-6-16-11)10(15)9(7-8)12-2/h3-7,11,13,15H,8-10H2,1-2H3;3-4,6-7,10,12,14H,5,8-9H2,1-2H3;3-4,6,9-10,12,14H,5,7-8H2,1-2H3;3-5,7,10-11,14H,6,8-9H2,1-2H3;8-9,13H,4-7H2,1-3H3;4-5,8-10,13H,3,6-7H2,1-2H3;3,5,8-10,13H,4,6-7H2,1-2H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3-4,6,9-10,13-14H,5,7-8H2,1-2H3;2*3-4,7,9-10,13H,5-6,8H2,1-2H3;7,9,12H,4-6H2,1-3H3;4*4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyFXWIFVQBIQQQOL-UHFFFAOYSA-N
MW3716.91 g/mol
LogP20.19
Rot. Bonds33

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (PubChem CID 158174757) has the molecular formula C192H292N50O22S2 and a molecular weight of 3716.91 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
PubChem CID158174757
Molecular FormulaC192H292N50O22S2
Molecular Weight3716.91 g/mol
Exact Mass3714.27
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
SMILESCCc1nc(N2CCC(C)CC(NC)C2=O)no1.CNC1CC(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)CCN(c2ccccc2)C1=O.CNC1CC(C)CCN(c2ccccn2)C1=O.CNC1CC(C)CCN(c2cccnc2)C1=O.CNC1CC(C)CCN(c2cccnn2)C1=O.CNC1CC(C)CCN(c2ccco2)C1=O.CNC1CC(C)CCN(c2cccs2)C1=O.CNC1CC(C)CCN(c2ccncc2)C1=O.CNC1CC(C)CCN(c2ccncn2)C1=O.CNC1CC(C)CCN(c2cnccn2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2nccs2)C1=O.CNC1CC(C)CCN(c2noc(C)n2)C1=O
InChIInChI=1S/C14H20N2O.3C13H19N3O.C12H20N4O2.3C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.3C11H17N3O2.C11H17N3OS/c1-11-8-9-16(12-6-4-3-5-7-12)14(17)13(10-11)15-2;1-10-5-8-16(11-3-6-15-7-4-11)13(17)12(9-10)14-2;1-10-5-7-16(11-4-3-6-15-9-11)13(17)12(8-10)14-2;1-10-6-8-16(12-5-3-4-7-15-12)13(17)11(9-10)14-2;1-4-10-14-12(15-18-10)16-6-5-8(2)7-9(13-3)11(16)17;1-9-3-6-16(11-8-14-4-5-15-11)12(17)10(7-9)13-2;1-9-4-6-16(11-3-5-14-8-15-11)12(17)10(7-9)13-2;1-9-5-7-16(11-4-3-6-14-15-11)12(17)10(8-9)13-2;1-9-5-7-15(11-4-3-6-14-11)12(16)10(8-9)13-2;2*1-9-5-6-14(11-4-3-7-16-11)12(15)10(8-9)13-2;1-7-4-5-15(10(16)9(6-7)12-3)11-13-8(2)17-14-11;4*1-8-3-5-14(11-13-4-6-16-11)10(15)9(7-8)12-2/h3-7,11,13,15H,8-10H2,1-2H3;3-4,6-7,10,12,14H,5,8-9H2,1-2H3;3-4,6,9-10,12,14H,5,7-8H2,1-2H3;3-5,7,10-11,14H,6,8-9H2,1-2H3;8-9,13H,4-7H2,1-3H3;4-5,8-10,13H,3,6-7H2,1-2H3;3,5,8-10,13H,4,6-7H2,1-2H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3-4,6,9-10,13-14H,5,7-8H2,1-2H3;2*3-4,7,9-10,13H,5-6,8H2,1-2H3;7,9,12H,4-6H2,1-3H3;4*4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyFXWIFVQBIQQQOL-UHFFFAOYSA-N
XLogP20.19
TPSA831.20 Ų
H-Bond Donors17
H-Bond Acceptors57
Rotatable Bonds33
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003716.91
LogP ≤ 520.19
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1057

Analyze 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one with MolForge

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Related Compounds

2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-2-amine;2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-propan-2-ylcyclopentan-1-amine;1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylcyclopropan-1-amine;1-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylcyclopropan-1-amine;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 167532286
1-(furan-3-ylmethyl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 157050832
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
4-benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;1-(furan-2-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;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;6-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157098621
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
bis(5H-cyclopenta[c]pyridazine);icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;bis(furo[3,2-c]pyridazine);bis([1,3]oxazolo[4,5-c]pyridazine);bis([1,3]oxazolo[5,4-c]pyridazine);bis(5H-pyrrolo[2,3-c]pyridazine);bis(7H-pyrrolo[2,3-c]pyridazine);bis([1,3]thiazolo[4,5-c]pyridazine);bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;bis(thieno[3,2-c]pyridazine)
CID 157118018
CID 157120267
CID 157120267
furan;1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157126387
benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157131955

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (CID 158174757) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is CCc1nc(N2CCC(C)CC(NC)C2=O)no1.CNC1CC(C)CCN(c2ccc[nH]2)C1=O.CNC1CC(C)CCN(c2ccccc2)C1=O.CNC1CC(C)CCN(c2ccccn2)C1=O.CNC1CC(C)CCN(c2cccnc2)C1=O.CNC1CC(C)CCN(c2cccnn2)C1=O.CNC1CC(C)CCN(c2ccco2)C1=O.CNC1CC(C)CCN(c2cccs2)C1=O.CNC1CC(C)CCN(c2ccncc2)C1=O.CNC1CC(C)CCN(c2ccncn2)C1=O.CNC1CC(C)CCN(c2cnccn2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2ncco2)C1=O.CNC1CC(C)CCN(c2nccs2)C1=O.CNC1CC(C)CCN(c2noc(C)n2)C1=O.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The InChIKey is FXWIFVQBIQQQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.3C13H19N3O.C12H20N4O2.3C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.3C11H17N3O2.C11H17N3OS/c1-11-8-9-16(12-6-4-3-5-7-12)14(17)13(10-11)15-2;1-10-5-8-16(11-3-6-15-7-4-11)13(17)12(9-10)14-2;1-10-5-7-16(11-4-3-6-15-9-11)13(17)12(8-10)14-2;1-10-6-8-16(12-5-3-4-7-15-12)13(17)11(9-10)14-2;1-4-10-14-12(15-18-10)16-6-5-8(2)7-9(13-3)11(16)17;1-9-3-6-16(11-8-14-4-5-15-11)12(17)10(7-9)13-2;1-9-4-6-16(11-3-5-14-8-15-11)12(17)10(7-9)13-2;1-9-5-7-16(11-4-3-6-14-15-11)12(17)10(8-9)13-2;1-9-5-7-15(11-4-3-6-14-11)12(16)10(8-9)13-2;2*1-9-5-6-14(11-4-3-7-16-11)12(15)10(8-9)13-2;1-7-4-5-15(10(16)9(6-7)12-3)11-13-8(2)17-14-11;4*1-8-3-5-14(11-13-4-6-16-11)10(15)9(7-8)12-2/h3-7,11,13,15H,8-10H2,1-2H3;3-4,6-7,10,12,14H,5,8-9H2,1-2H3;3-4,6,9-10,12,14H,5,7-8H2,1-2H3;3-5,7,10-11,14H,6,8-9H2,1-2H3;8-9,13H,4-7H2,1-3H3;4-5,8-10,13H,3,6-7H2,1-2H3;3,5,8-10,13H,4,6-7H2,1-2H3;3-4,6,9-10,13H,5,7-8H2,1-2H3;3-4,6,9-10,13-14H,5,7-8H2,1-2H3;2*3-4,7,9-10,13H,5-6,8H2,1-2H3;7,9,12H,4-6H2,1-3H3;4*4,6,8-9,12H,3,5,7H2,1-2H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one has a molecular weight of 3716.91 g/mol, XLogP of 20.19, 33 rotatable bonds, 17 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-5-methyl-3-(methylamino)azepan-2-one;5-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(5-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5-methyl-3-(methylamino)-1-phenylazepan-2-one;5-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;5-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;5-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is sourced from PubChem (CID 158174757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).