6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

C149H166N36O30S4 — CID 157459402

IUPAC6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(c2cc[nH]c2)CCc2ccoc21.CNC1C(=O)N(c2ccoc2)CCc2ccoc21.CNC1C(=O)N(c2ccsc2)CCc2ccoc21.CNC1C(=O)N(c2cnc[nH]2)CCc2ccoc21.CNC1C(=O)N(c2coc(C)n2)CCc2ccoc21.CNC1C(=O)N(c2cocn2)CCc2ccoc21.CNC1C(=O)N(c2csc(C)n2)CCc2ccoc21.CNC1C(=O)N(c2cscn2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ccoc21
InChIInChI=1S/C13H15N3O3.C13H15N3O2S.C13H15N3O2.C13H14N2O3.C13H14N2O2S.C12H14N4O2S.C12H14N4O2.4C12H13N3O3.C12H13N3O2S/c2*1-8-15-10(7-19-8)16-5-3-9-4-6-18-12(9)11(14-2)13(16)17;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)10-2-5-15-8-10;1-14-11-12-9(3-7-18-12)2-5-15(13(11)16)10-4-6-17-8-10;1-14-11-12-9(3-6-17-12)2-5-15(13(11)16)10-4-7-18-8-10;1-7-14-12(15-19-7)16-5-3-8-4-6-18-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)9-6-14-7-15-9;3*1-13-9-10-8(3-6-17-10)2-5-15(11(9)16)12-14-4-7-18-12;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9;1-13-10-11-8(3-5-17-11)2-4-15(12(10)16)9-6-18-7-14-9/h2*4,6-7,11,14H,3,5H2,1-2H3;2,4-5,7-8,11,14-15H,3,6H2,1H3;2*3-4,6-8,11,14H,2,5H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5-7,10,13H,2,4H2,1H3,(H,14,15);3*3-4,6-7,9,13H,2,5H2,1H3;2*3,5-7,10,13H,2,4H2,1H3
InChIKeyBTTBJCLHVIVGQW-UHFFFAOYSA-N
MW3069.46 g/mol
LogP16.89
Rot. Bonds24

About 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 157459402) has the molecular formula C149H166N36O30S4 and a molecular weight of 3069.46 g/mol. Its IUPAC name is 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID157459402
Molecular FormulaC149H166N36O30S4
Molecular Weight3069.46 g/mol
Exact Mass3067.15
IUPAC Name6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(c2cc[nH]c2)CCc2ccoc21.CNC1C(=O)N(c2ccoc2)CCc2ccoc21.CNC1C(=O)N(c2ccsc2)CCc2ccoc21.CNC1C(=O)N(c2cnc[nH]2)CCc2ccoc21.CNC1C(=O)N(c2coc(C)n2)CCc2ccoc21.CNC1C(=O)N(c2cocn2)CCc2ccoc21.CNC1C(=O)N(c2csc(C)n2)CCc2ccoc21.CNC1C(=O)N(c2cscn2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ccoc21
InChIInChI=1S/C13H15N3O3.C13H15N3O2S.C13H15N3O2.C13H14N2O3.C13H14N2O2S.C12H14N4O2S.C12H14N4O2.4C12H13N3O3.C12H13N3O2S/c2*1-8-15-10(7-19-8)16-5-3-9-4-6-18-12(9)11(14-2)13(16)17;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)10-2-5-15-8-10;1-14-11-12-9(3-7-18-12)2-5-15(13(11)16)10-4-6-17-8-10;1-14-11-12-9(3-6-17-12)2-5-15(13(11)16)10-4-7-18-8-10;1-7-14-12(15-19-7)16-5-3-8-4-6-18-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)9-6-14-7-15-9;3*1-13-9-10-8(3-6-17-10)2-5-15(11(9)16)12-14-4-7-18-12;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9;1-13-10-11-8(3-5-17-11)2-4-15(12(10)16)9-6-18-7-14-9/h2*4,6-7,11,14H,3,5H2,1-2H3;2,4-5,7-8,11,14-15H,3,6H2,1H3;2*3-4,6-8,11,14H,2,5H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5-7,10,13H,2,4H2,1H3,(H,14,15);3*3-4,6-7,9,13H,2,5H2,1H3;2*3,5-7,10,13H,2,4H2,1H3
InChIKeyBTTBJCLHVIVGQW-UHFFFAOYSA-N
XLogP16.89
TPSA785.08 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds24
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003069.46
LogP ≤ 516.89
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Analyze 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one with MolForge

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Related Compounds

2-[2-(furan-2-yl)-4-pyrazin-2-yl-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-5-thiophen-2-ylimidazolidin-2-yl]-1,3-oxazole
CID 141109663
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
6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,2-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
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CID 157176261
CID 157176261
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)azepan-2-one;1-(furan-2-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-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;3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-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
CID 157211694
1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;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-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)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-yl)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-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
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4-(furan-2-yl)-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-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
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CID 157416722
CID 157416722
6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one);8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 157418303
CID 157436723
CID 157436723

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 157459402) is 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(c2cc[nH]c2)CCc2ccoc21.CNC1C(=O)N(c2ccoc2)CCc2ccoc21.CNC1C(=O)N(c2ccsc2)CCc2ccoc21.CNC1C(=O)N(c2cnc[nH]2)CCc2ccoc21.CNC1C(=O)N(c2coc(C)n2)CCc2ccoc21.CNC1C(=O)N(c2cocn2)CCc2ccoc21.CNC1C(=O)N(c2csc(C)n2)CCc2ccoc21.CNC1C(=O)N(c2cscn2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2ncco2)CCc2ccoc21.CNC1C(=O)N(c2nsc(C)n2)CCc2ccoc21.
What is the InChIKey of 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is BTTBJCLHVIVGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.C13H15N3O2S.C13H15N3O2.C13H14N2O3.C13H14N2O2S.C12H14N4O2S.C12H14N4O2.4C12H13N3O3.C12H13N3O2S/c2*1-8-15-10(7-19-8)16-5-3-9-4-6-18-12(9)11(14-2)13(16)17;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)10-2-5-15-8-10;1-14-11-12-9(3-7-18-12)2-5-15(13(11)16)10-4-6-17-8-10;1-14-11-12-9(3-6-17-12)2-5-15(13(11)16)10-4-7-18-8-10;1-7-14-12(15-19-7)16-5-3-8-4-6-18-10(8)9(13-2)11(16)17;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)9-6-14-7-15-9;3*1-13-9-10-8(3-6-17-10)2-5-15(11(9)16)12-14-4-7-18-12;1-13-10-11-8(3-5-18-11)2-4-15(12(10)16)9-6-17-7-14-9;1-13-10-11-8(3-5-17-11)2-4-15(12(10)16)9-6-18-7-14-9/h2*4,6-7,11,14H,3,5H2,1-2H3;2,4-5,7-8,11,14-15H,3,6H2,1H3;2*3-4,6-8,11,14H,2,5H2,1H3;4,6,9,13H,3,5H2,1-2H3;3,5-7,10,13H,2,4H2,1H3,(H,14,15);3*3-4,6-7,9,13H,2,5H2,1H3;2*3,5-7,10,13H,2,4H2,1H3.
What are the key properties of 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 3069.46 g/mol, XLogP of 16.89, 24 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-5-yl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(5-methyl-1,2,4-thiadiazol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methyl-1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;tris(8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(1,3-oxazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-3-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-4-yl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-thiophen-3-yl-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 157459402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).