1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)

C232H280N40O21S6 — CID 157256111

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one) (PubChem CID 157256111) has the molecular formula C232H280N40O21S6 and a molecular weight of 4157.45 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one).

Molecular Properties

• Compound Name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)
• PubChem CID: 157256111
• Molecular Formula: C232H280N40O21S6
• Molecular Weight: 4157.45 g/mol
• Exact Mass: 4154.04
• IUPAC Name: 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)
• SMILES: CCc1nc(N2C(=O)C(NC)CCCC2c2ccccc2)no1.CNC1CCCC(c2ccccc2)N(c2ccc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccco2)C1=O.CNC1CCCC(c2ccccc2)N(c2cccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2cccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2coc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2nccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2nccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2nsc(C)n2)C1=O
• InChI: InChI=1S/C17H22N4O2.C17H21N3O2.C17H21N3OS.C17H21N3O.2C17H20N2O2.2C17H20N2OS.C16H20N4OS.3C16H19N3O2.2C16H19N3OS/c1-3-15-19-17(20-23-15)21-14(12-8-5-4-6-9-12)11-7-10-13(18-2)16(21)22;2*1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-14-9-5-10-15(13-7-3-2-4-8-13)20(17(14)21)16-11-6-12-19-16;4*1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-11-18-16(19-22-11)20-14(12-7-4-3-5-8-12)10-6-9-13(17-2)15(20)21;5*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h4-6,8-9,13-14,18H,3,7,10-11H2,1-2H3;2*3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-8,11-12,14-15,18-19H,5,9-10H2,1H3;4*2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;3-5,7-8,13-14,17H,6,9-10H2,1-2H3;5*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3
• InChIKey: AWXIKGZLFVHVBD-UHFFFAOYSA-N
• XLogP: 41.14
• TPSA: 702.32 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 52
• Rotatable Bonds: 43
• Heavy Atoms: 299
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4157.45
LogP ≤ 5	41.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)?

The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one) (CID 157256111) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one).

What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)?

The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one) is CCc1nc(N2C(=O)C(NC)CCCC2c2ccccc2)no1.CNC1CCCC(c2ccccc2)N(c2ccc[nH]2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ccco2)C1=O.CNC1CCCC(c2ccccc2)N(c2cccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2cccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2coc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2csc(C)n2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2ncco2)C1=O.CNC1CCCC(c2ccccc2)N(c2nccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2nccs2)C1=O.CNC1CCCC(c2ccccc2)N(c2nsc(C)n2)C1=O.

What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)?

The InChIKey is AWXIKGZLFVHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.C17H21N3O2.C17H21N3OS.C17H21N3O.2C17H20N2O2.2C17H20N2OS.C16H20N4OS.3C16H19N3O2.2C16H19N3OS/c1-3-15-19-17(20-23-15)21-14(12-8-5-4-6-9-12)11-7-10-13(18-2)16(21)22;2*1-12-19-16(11-22-12)20-15(13-7-4-3-5-8-13)10-6-9-14(18-2)17(20)21;1-18-14-9-5-10-15(13-7-3-2-4-8-13)20(17(14)21)16-11-6-12-19-16;4*1-18-14-9-5-10-15(13-7-3-2-4-8-13)19(17(14)20)16-11-6-12-21-16;1-11-18-16(19-22-11)20-14(12-7-4-3-5-8-12)10-6-9-13(17-2)15(20)21;5*1-17-13-8-5-9-14(12-6-3-2-4-7-12)19(15(13)20)16-18-10-11-21-16/h4-6,8-9,13-14,18H,3,7,10-11H2,1-2H3;2*3-5,7-8,11,14-15,18H,6,9-10H2,1-2H3;2-4,6-8,11-12,14-15,18-19H,5,9-10H2,1H3;4*2-4,6-8,11-12,14-15,18H,5,9-10H2,1H3;3-5,7-8,13-14,17H,6,9-10H2,1-2H3;5*2-4,6-7,10-11,13-14,17H,5,8-9H2,1H3.

What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one)?

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one) has a molecular weight of 4157.45 g/mol, XLogP of 41.14, 43 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;bis(1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one);3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;bis(3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one);bis(3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one) is sourced from PubChem (CID 157256111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).