1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one

C156H229N39O17S3 — CID 157319887

IUPAC1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCCN(c2cc[nH]c2)C1=O.CNC1CCCCN(c2ccc[nH]2)C1=O.CNC1CCCCN(c2ccccc2)C1=O.CNC1CCCCN(c2ccccn2)C1=O.CNC1CCCCN(c2cccnc2)C1=O.CNC1CCCCN(c2cccnn2)C1=O.CNC1CCCCN(c2ccco2)C1=O.CNC1CCCCN(c2cccs2)C1=O.CNC1CCCCN(c2ccncc2)C1=O.CNC1CCCCN(c2ccoc2)C1=O.CNC1CCCCN(c2ccsc2)C1=O.CNC1CCCCN(c2cnc[nH]2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2nccs2)C1=O
InChIInChI=1S/C13H18N2O.3C12H17N3O.C11H16N4O.2C11H17N3O.2C11H16N2O2.2C11H16N2OS.C10H16N4O.C10H15N3O2.C10H15N3OS/c1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;1-13-10-6-3-5-9-15(12(10)16)11-7-2-4-8-14-11;1-13-11-6-2-3-8-15(12(11)16)10-5-4-7-14-9-10;1-13-11-4-2-3-9-15(12(11)16)10-5-7-14-8-6-10;1-12-9-5-2-3-8-15(11(9)16)10-6-4-7-13-14-10;1-12-9-5-2-3-8-14(11(9)15)10-6-4-7-13-10;1-12-10-4-2-3-7-14(11(10)15)9-5-6-13-8-9;1-12-9-5-2-3-7-13(11(9)14)10-6-4-8-15-10;1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9;1-12-9-5-2-3-7-13(11(9)14)10-6-4-8-15-10;1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9;1-11-8-4-2-3-5-14(10(8)15)9-6-12-7-13-9;2*1-11-8-4-2-3-6-13(9(8)14)10-12-5-7-15-10/h2-4,7-8,12,14H,5-6,9-10H2,1H3;2,4,7-8,10,13H,3,5-6,9H2,1H3;4-5,7,9,11,13H,2-3,6,8H2,1H3;5-8,11,13H,2-4,9H2,1H3;4,6-7,9,12H,2-3,5,8H2,1H3;4,6-7,9,12-13H,2-3,5,8H2,1H3;5-6,8,10,12-13H,2-4,7H2,1H3;4,6,8-9,12H,2-3,5,7H2,1H3;5,7-8,10,12H,2-4,6H2,1H3;4,6,8-9,12H,2-3,5,7H2,1H3;5,7-8,10,12H,2-4,6H2,1H3;6-8,11H,2-5H2,1H3,(H,12,13);2*5,7-8,11H,2-4,6H2,1H3
InChIKeyBEAOEHRIWMXPDM-UHFFFAOYSA-N
MW3019.00 g/mol
LogP17.19
Rot. Bonds28

About 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one

1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one (PubChem CID 157319887) has the molecular formula C156H229N39O17S3 and a molecular weight of 3019.00 g/mol. Its IUPAC name is 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
PubChem CID157319887
Molecular FormulaC156H229N39O17S3
Molecular Weight3019.00 g/mol
Exact Mass3016.74
IUPAC Name1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
SMILESCNC1CCCCN(c2cc[nH]c2)C1=O.CNC1CCCCN(c2ccc[nH]2)C1=O.CNC1CCCCN(c2ccccc2)C1=O.CNC1CCCCN(c2ccccn2)C1=O.CNC1CCCCN(c2cccnc2)C1=O.CNC1CCCCN(c2cccnn2)C1=O.CNC1CCCCN(c2ccco2)C1=O.CNC1CCCCN(c2cccs2)C1=O.CNC1CCCCN(c2ccncc2)C1=O.CNC1CCCCN(c2ccoc2)C1=O.CNC1CCCCN(c2ccsc2)C1=O.CNC1CCCCN(c2cnc[nH]2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2nccs2)C1=O
InChIInChI=1S/C13H18N2O.3C12H17N3O.C11H16N4O.2C11H17N3O.2C11H16N2O2.2C11H16N2OS.C10H16N4O.C10H15N3O2.C10H15N3OS/c1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;1-13-10-6-3-5-9-15(12(10)16)11-7-2-4-8-14-11;1-13-11-6-2-3-8-15(12(11)16)10-5-4-7-14-9-10;1-13-11-4-2-3-9-15(12(11)16)10-5-7-14-8-6-10;1-12-9-5-2-3-8-15(11(9)16)10-6-4-7-13-14-10;1-12-9-5-2-3-8-14(11(9)15)10-6-4-7-13-10;1-12-10-4-2-3-7-14(11(10)15)9-5-6-13-8-9;1-12-9-5-2-3-7-13(11(9)14)10-6-4-8-15-10;1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9;1-12-9-5-2-3-7-13(11(9)14)10-6-4-8-15-10;1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9;1-11-8-4-2-3-5-14(10(8)15)9-6-12-7-13-9;2*1-11-8-4-2-3-6-13(9(8)14)10-12-5-7-15-10/h2-4,7-8,12,14H,5-6,9-10H2,1H3;2,4,7-8,10,13H,3,5-6,9H2,1H3;4-5,7,9,11,13H,2-3,6,8H2,1H3;5-8,11,13H,2-4,9H2,1H3;4,6-7,9,12H,2-3,5,8H2,1H3;4,6-7,9,12-13H,2-3,5,8H2,1H3;5-6,8,10,12-13H,2-4,7H2,1H3;4,6,8-9,12H,2-3,5,7H2,1H3;5,7-8,10,12H,2-4,6H2,1H3;4,6,8-9,12H,2-3,5,7H2,1H3;5,7-8,10,12H,2-4,6H2,1H3;6-8,11H,2-5H2,1H3,(H,12,13);2*5,7-8,11H,2-4,6H2,1H3
InChIKeyBEAOEHRIWMXPDM-UHFFFAOYSA-N
XLogP17.19
TPSA642.67 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003019.00
LogP ≤ 517.19
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Analyze 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one with MolForge

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Related Compounds

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-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
CID 157140927
CID 157140927
2,5-diethyl-1,3,4-oxadiazole;2,5-diethyl-1,3,4-thiadiazole;ethane;furan;1H-imidazole;1-methylpyrazole;1,2-oxazole;1,3-oxazole;propane;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 157148408

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The IUPAC name of 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one (CID 157319887) is 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The canonical SMILES for 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one is CNC1CCCCN(c2cc[nH]c2)C1=O.CNC1CCCCN(c2ccc[nH]2)C1=O.CNC1CCCCN(c2ccccc2)C1=O.CNC1CCCCN(c2ccccn2)C1=O.CNC1CCCCN(c2cccnc2)C1=O.CNC1CCCCN(c2cccnn2)C1=O.CNC1CCCCN(c2ccco2)C1=O.CNC1CCCCN(c2cccs2)C1=O.CNC1CCCCN(c2ccncc2)C1=O.CNC1CCCCN(c2ccoc2)C1=O.CNC1CCCCN(c2ccsc2)C1=O.CNC1CCCCN(c2cnc[nH]2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2nccs2)C1=O.
What is the InChIKey of 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one?
The InChIKey is BEAOEHRIWMXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.3C12H17N3O.C11H16N4O.2C11H17N3O.2C11H16N2O2.2C11H16N2OS.C10H16N4O.C10H15N3O2.C10H15N3OS/c1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;1-13-10-6-3-5-9-15(12(10)16)11-7-2-4-8-14-11;1-13-11-6-2-3-8-15(12(11)16)10-5-4-7-14-9-10;1-13-11-4-2-3-9-15(12(11)16)10-5-7-14-8-6-10;1-12-9-5-2-3-8-15(11(9)16)10-6-4-7-13-14-10;1-12-9-5-2-3-8-14(11(9)15)10-6-4-7-13-10;1-12-10-4-2-3-7-14(11(10)15)9-5-6-13-8-9;1-12-9-5-2-3-7-13(11(9)14)10-6-4-8-15-10;1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9;1-12-9-5-2-3-7-13(11(9)14)10-6-4-8-15-10;1-12-10-4-2-3-6-13(11(10)14)9-5-7-15-8-9;1-11-8-4-2-3-5-14(10(8)15)9-6-12-7-13-9;2*1-11-8-4-2-3-6-13(9(8)14)10-12-5-7-15-10/h2-4,7-8,12,14H,5-6,9-10H2,1H3;2,4,7-8,10,13H,3,5-6,9H2,1H3;4-5,7,9,11,13H,2-3,6,8H2,1H3;5-8,11,13H,2-4,9H2,1H3;4,6-7,9,12H,2-3,5,8H2,1H3;4,6-7,9,12-13H,2-3,5,8H2,1H3;5-6,8,10,12-13H,2-4,7H2,1H3;4,6,8-9,12H,2-3,5,7H2,1H3;5,7-8,10,12H,2-4,6H2,1H3;4,6,8-9,12H,2-3,5,7H2,1H3;5,7-8,10,12H,2-4,6H2,1H3;6-8,11H,2-5H2,1H3,(H,12,13);2*5,7-8,11H,2-4,6H2,1H3.
What are the key properties of 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one?
1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one has a molecular weight of 3019.00 g/mol, XLogP of 17.19, 28 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-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-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one is sourced from PubChem (CID 157319887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).