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

C192H292N50O22S2 — CID 157066236

IUPAC1-(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
SMILESCCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccccc2)C1=O.CNC1CCCC(C)N(c2ccccn2)C1=O.CNC1CCCC(C)N(c2cccnc2)C1=O.CNC1CCCC(C)N(c2cccnn2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2ccncc2)C1=O.CNC1CCCC(C)N(c2ccncn2)C1=O.CNC1CCCC(C)N(c2cnccn2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2noc(C)n2)C1=O
InChIInChI=1S/C14H20N2O.3C13H19N3O.C12H20N4O2.3C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.3C11H17N3O2.C11H17N3OS/c1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;1-10-5-3-7-12(14-2)13(17)16(10)11-6-4-8-15-9-11;1-10-6-5-7-11(14-2)13(17)16(10)12-8-3-4-9-15-12;1-10-4-3-5-12(14-2)13(17)16(10)11-6-8-15-9-7-11;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-9-5-3-6-10(13-2)12(17)16(9)11-7-4-8-14-15-11;1-9-4-3-5-10(13-2)12(17)16(9)11-8-14-6-7-15-11;1-9-4-3-5-10(13-2)12(17)16(9)11-6-7-14-8-15-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;2*1-9-5-3-6-10(13-2)12(15)14(9)11-7-4-8-16-11;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;4*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h3-5,8-9,11,13,15H,6-7,10H2,1-2H3;4,6,8-10,12,14H,3,5,7H2,1-2H3;3-4,8-11,14H,5-7H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;8-9,13H,4-7H2,1-3H3;4,7-10,13H,3,5-6H2,1-2H3;2*6-10,13H,3-5H2,1-2H3;4,7-10,13-14H,3,5-6H2,1-2H3;2*4,7-10,13H,3,5-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;4*6-9,12H,3-5H2,1-2H3
InChIKeyABXFJJUMHCZHIG-UHFFFAOYSA-N
MW3716.91 g/mol
LogP22.47
Rot. Bonds33

About 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

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 (PubChem CID 157066236) 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)-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.

Molecular Properties

Compound Name1-(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
PubChem CID157066236
Molecular FormulaC192H292N50O22S2
Molecular Weight3716.91 g/mol
Exact Mass3714.27
IUPAC Name1-(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
SMILESCCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccccc2)C1=O.CNC1CCCC(C)N(c2ccccn2)C1=O.CNC1CCCC(C)N(c2cccnc2)C1=O.CNC1CCCC(C)N(c2cccnn2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2ccncc2)C1=O.CNC1CCCC(C)N(c2ccncn2)C1=O.CNC1CCCC(C)N(c2cnccn2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2noc(C)n2)C1=O
InChIInChI=1S/C14H20N2O.3C13H19N3O.C12H20N4O2.3C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.3C11H17N3O2.C11H17N3OS/c1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;1-10-5-3-7-12(14-2)13(17)16(10)11-6-4-8-15-9-11;1-10-6-5-7-11(14-2)13(17)16(10)12-8-3-4-9-15-12;1-10-4-3-5-12(14-2)13(17)16(10)11-6-8-15-9-7-11;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-9-5-3-6-10(13-2)12(17)16(9)11-7-4-8-14-15-11;1-9-4-3-5-10(13-2)12(17)16(9)11-8-14-6-7-15-11;1-9-4-3-5-10(13-2)12(17)16(9)11-6-7-14-8-15-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;2*1-9-5-3-6-10(13-2)12(15)14(9)11-7-4-8-16-11;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;4*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h3-5,8-9,11,13,15H,6-7,10H2,1-2H3;4,6,8-10,12,14H,3,5,7H2,1-2H3;3-4,8-11,14H,5-7H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;8-9,13H,4-7H2,1-3H3;4,7-10,13H,3,5-6H2,1-2H3;2*6-10,13H,3-5H2,1-2H3;4,7-10,13-14H,3,5-6H2,1-2H3;2*4,7-10,13H,3,5-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;4*6-9,12H,3-5H2,1-2H3
InChIKeyABXFJJUMHCZHIG-UHFFFAOYSA-N
XLogP22.47
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 ≤ 522.47
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1057

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc(N2C(=O)C(NC)CCCC2C)no1.CNC1CCCC(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)N(c2ccccc2)C1=O.CNC1CCCC(C)N(c2ccccn2)C1=O.CNC1CCCC(C)N(c2cccnc2)C1=O.CNC1CCCC(C)N(c2cccnn2)C1=O.CNC1CCCC(C)N(c2ccco2)C1=O.CNC1CCCC(C)N(c2cccs2)C1=O.CNC1CCCC(C)N(c2ccncc2)C1=O.CNC1CCCC(C)N(c2ccncn2)C1=O.CNC1CCCC(C)N(c2cnccn2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2ncco2)C1=O.CNC1CCCC(C)N(c2nccs2)C1=O.CNC1CCCC(C)N(c2noc(C)n2)C1=O.
What is the InChIKey of 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?
The InChIKey is ABXFJJUMHCZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.3C13H19N3O.C12H20N4O2.3C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H18N4O2.3C11H17N3O2.C11H17N3OS/c1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;1-10-5-3-7-12(14-2)13(17)16(10)11-6-4-8-15-9-11;1-10-6-5-7-11(14-2)13(17)16(10)12-8-3-4-9-15-12;1-10-4-3-5-12(14-2)13(17)16(10)11-6-8-15-9-7-11;1-4-10-14-12(15-18-10)16-8(2)6-5-7-9(13-3)11(16)17;1-9-5-3-6-10(13-2)12(17)16(9)11-7-4-8-14-15-11;1-9-4-3-5-10(13-2)12(17)16(9)11-8-14-6-7-15-11;1-9-4-3-5-10(13-2)12(17)16(9)11-6-7-14-8-15-11;1-9-5-3-6-10(13-2)12(16)15(9)11-7-4-8-14-11;2*1-9-5-3-6-10(13-2)12(15)14(9)11-7-4-8-16-11;1-7-5-4-6-9(12-3)10(16)15(7)11-13-8(2)17-14-11;4*1-8-4-3-5-9(12-2)10(15)14(8)11-13-6-7-16-11/h3-5,8-9,11,13,15H,6-7,10H2,1-2H3;4,6,8-10,12,14H,3,5,7H2,1-2H3;3-4,8-11,14H,5-7H2,1-2H3;6-10,12,14H,3-5H2,1-2H3;8-9,13H,4-7H2,1-3H3;4,7-10,13H,3,5-6H2,1-2H3;2*6-10,13H,3-5H2,1-2H3;4,7-10,13-14H,3,5-6H2,1-2H3;2*4,7-10,13H,3,5-6H2,1-2H3;7,9,12H,4-6H2,1-3H3;4*6-9,12H,3-5H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3716.91 g/mol, XLogP of 22.47, 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)-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 is sourced from PubChem (CID 157066236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).