6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

C175H206N40O32S4 — CID 157416722

IUPAC6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(CC2=CC=CC2(C)C)CCc2ccoc21.CNC1C(=O)N(Cc2ccno2)CCc2ccoc21.CNC1C(=O)N(Cc2ccoc2)CCc2ccoc21.CNC1C(=O)N(Cc2ccsc2)CCc2ccoc21.CNC1C(=O)N(Cc2cnc(C)o2)CCc2ccoc21.CNC1C(=O)N(Cc2cnco2)CCc2ccoc21.CNC1C(=O)N(Cc2cncs2)CCc2ccoc21.CNC1C(=O)N(Cc2cncs2)CCc2ccoc21.CNC1C(=O)N(Cc2ncc[nH]2)CCc2ccoc21.CNC1C(=O)N(Cc2ncco2)CCc2ccoc21.CNC1C(=O)N(Cc2nccs2)CCc2ccoc21.CNC1C(=O)N(Cc2ncncn2)CCc2ccoc21.CNC1C(=O)N(Cc2nnco2)CCc2ccoc21
InChIInChI=1S/C17H22N2O2.C14H17N3O3.C14H16N2O3.C14H16N2O2S.C13H15N5O2.C13H16N4O2.3C13H15N3O3.3C13H15N3O2S.C12H14N4O3/c1-17(2)8-4-5-13(17)11-19-9-6-12-7-10-21-15(12)14(18-3)16(19)20;1-9-16-7-11(20-9)8-17-5-3-10-4-6-19-13(10)12(15-2)14(17)18;1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-15-12-13-11(3-6-18-13)2-5-16(14(12)17)8-10-4-7-19-9-10;1-14-11-12-9(3-5-20-12)2-4-18(13(11)19)6-10-16-7-15-8-17-10;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)8-10-15-4-5-16-10;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)8-10-2-5-15-19-10;1-14-11-12-9(3-6-19-12)2-5-16(13(11)17)8-10-15-4-7-18-10;1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-14-11-12-9(3-6-18-12)2-5-16(13(11)17)8-10-15-4-7-19-10;2*1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-15-14-7-19-9/h4-5,7-8,10,14,18H,6,9,11H2,1-3H3;4,6-7,12,15H,3,5,8H2,1-2H3;2*3-4,6-7,9,12,15H,2,5,8H2,1H3;3,5,7-8,11,14H,2,4,6H2,1H3;3-5,7,11,14H,2,6,8H2,1H3,(H,15,16);2,4-5,7,11,14H,3,6,8H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;2*3,5-6,8,11,14H,2,4,7H2,1H3;3,5,7,10,13H,2,4,6H2,1H3
InChIKeyBOXXBONBLRNARP-UHFFFAOYSA-N
MW3510.09 g/mol
LogP17.52
Rot. Bonds39

About 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one

6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (PubChem CID 157416722) has the molecular formula C175H206N40O32S4 and a molecular weight of 3510.09 g/mol. Its IUPAC name is 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.

Molecular Properties

Compound Name6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
PubChem CID157416722
Molecular FormulaC175H206N40O32S4
Molecular Weight3510.09 g/mol
Exact Mass3507.46
IUPAC Name6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
SMILESCNC1C(=O)N(CC2=CC=CC2(C)C)CCc2ccoc21.CNC1C(=O)N(Cc2ccno2)CCc2ccoc21.CNC1C(=O)N(Cc2ccoc2)CCc2ccoc21.CNC1C(=O)N(Cc2ccsc2)CCc2ccoc21.CNC1C(=O)N(Cc2cnc(C)o2)CCc2ccoc21.CNC1C(=O)N(Cc2cnco2)CCc2ccoc21.CNC1C(=O)N(Cc2cncs2)CCc2ccoc21.CNC1C(=O)N(Cc2cncs2)CCc2ccoc21.CNC1C(=O)N(Cc2ncc[nH]2)CCc2ccoc21.CNC1C(=O)N(Cc2ncco2)CCc2ccoc21.CNC1C(=O)N(Cc2nccs2)CCc2ccoc21.CNC1C(=O)N(Cc2ncncn2)CCc2ccoc21.CNC1C(=O)N(Cc2nnco2)CCc2ccoc21
InChIInChI=1S/C17H22N2O2.C14H17N3O3.C14H16N2O3.C14H16N2O2S.C13H15N5O2.C13H16N4O2.3C13H15N3O3.3C13H15N3O2S.C12H14N4O3/c1-17(2)8-4-5-13(17)11-19-9-6-12-7-10-21-15(12)14(18-3)16(19)20;1-9-16-7-11(20-9)8-17-5-3-10-4-6-19-13(10)12(15-2)14(17)18;1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-15-12-13-11(3-6-18-13)2-5-16(14(12)17)8-10-4-7-19-9-10;1-14-11-12-9(3-5-20-12)2-4-18(13(11)19)6-10-16-7-15-8-17-10;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)8-10-15-4-5-16-10;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)8-10-2-5-15-19-10;1-14-11-12-9(3-6-19-12)2-5-16(13(11)17)8-10-15-4-7-18-10;1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-14-11-12-9(3-6-18-12)2-5-16(13(11)17)8-10-15-4-7-19-10;2*1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-15-14-7-19-9/h4-5,7-8,10,14,18H,6,9,11H2,1-3H3;4,6-7,12,15H,3,5,8H2,1-2H3;2*3-4,6-7,9,12,15H,2,5,8H2,1H3;3,5,7-8,11,14H,2,4,6H2,1H3;3-5,7,11,14H,2,6,8H2,1H3,(H,15,16);2,4-5,7,11,14H,3,6,8H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;2*3,5-6,8,11,14H,2,4,7H2,1H3;3,5,7,10,13H,2,4,6H2,1H3
InChIKeyBOXXBONBLRNARP-UHFFFAOYSA-N
XLogP17.52
TPSA853.44 Ų
H-Bond Donors14
H-Bond Acceptors62
Rotatable Bonds39
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003510.09
LogP ≤ 517.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1062

Analyze 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The IUPAC name of 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one (CID 157416722) is 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one.
What is the SMILES notation for 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The canonical SMILES for 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is CNC1C(=O)N(CC2=CC=CC2(C)C)CCc2ccoc21.CNC1C(=O)N(Cc2ccno2)CCc2ccoc21.CNC1C(=O)N(Cc2ccoc2)CCc2ccoc21.CNC1C(=O)N(Cc2ccsc2)CCc2ccoc21.CNC1C(=O)N(Cc2cnc(C)o2)CCc2ccoc21.CNC1C(=O)N(Cc2cnco2)CCc2ccoc21.CNC1C(=O)N(Cc2cncs2)CCc2ccoc21.CNC1C(=O)N(Cc2cncs2)CCc2ccoc21.CNC1C(=O)N(Cc2ncc[nH]2)CCc2ccoc21.CNC1C(=O)N(Cc2ncco2)CCc2ccoc21.CNC1C(=O)N(Cc2nccs2)CCc2ccoc21.CNC1C(=O)N(Cc2ncncn2)CCc2ccoc21.CNC1C(=O)N(Cc2nnco2)CCc2ccoc21.
What is the InChIKey of 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
The InChIKey is BOXXBONBLRNARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C14H17N3O3.C14H16N2O3.C14H16N2O2S.C13H15N5O2.C13H16N4O2.3C13H15N3O3.3C13H15N3O2S.C12H14N4O3/c1-17(2)8-4-5-13(17)11-19-9-6-12-7-10-21-15(12)14(18-3)16(19)20;1-9-16-7-11(20-9)8-17-5-3-10-4-6-19-13(10)12(15-2)14(17)18;1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-15-12-13-11(3-6-18-13)2-5-16(14(12)17)8-10-4-7-19-9-10;1-14-11-12-9(3-5-20-12)2-4-18(13(11)19)6-10-16-7-15-8-17-10;1-14-11-12-9(3-7-19-12)2-6-17(13(11)18)8-10-15-4-5-16-10;1-14-11-12-9(4-7-18-12)3-6-16(13(11)17)8-10-2-5-15-19-10;1-14-11-12-9(3-6-19-12)2-5-16(13(11)17)8-10-15-4-7-18-10;1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-14-11-12-9(3-6-18-12)2-5-16(13(11)17)8-10-15-4-7-19-10;2*1-14-11-12-9(3-5-18-12)2-4-16(13(11)17)7-10-6-15-8-19-10;1-13-10-11-8(3-5-18-11)2-4-16(12(10)17)6-9-15-14-7-19-9/h4-5,7-8,10,14,18H,6,9,11H2,1-3H3;4,6-7,12,15H,3,5,8H2,1-2H3;2*3-4,6-7,9,12,15H,2,5,8H2,1H3;3,5,7-8,11,14H,2,4,6H2,1H3;3-5,7,11,14H,2,6,8H2,1H3,(H,15,16);2,4-5,7,11,14H,3,6,8H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;3,5-6,8,11,14H,2,4,7H2,1H3;3-4,6-7,11,14H,2,5,8H2,1H3;2*3,5-6,8,11,14H,2,4,7H2,1H3;3,5,7,10,13H,2,4,6H2,1H3.
What are the key properties of 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one?
6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one has a molecular weight of 3510.09 g/mol, XLogP of 17.52, 39 rotatable bonds, 14 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(furan-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-(1H-imidazol-2-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-[(2-methyl-1,3-oxazol-5-yl)methyl]-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,4-oxadiazol-2-ylmethyl)-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;bis(8-(methylamino)-6-(1,3-thiazol-5-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one);8-(methylamino)-6-(thiophen-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(1,3,5-triazin-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one is sourced from PubChem (CID 157416722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).