1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one

C126H193N41O20S2 — CID 157194461

About 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one

1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one (PubChem CID 157194461) has the molecular formula C126H193N41O20S2 and a molecular weight of 2666.33 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one.

Molecular Properties

• Compound Name: 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
• PubChem CID: 157194461
• Molecular Formula: C126H193N41O20S2
• Molecular Weight: 2666.33 g/mol
• Exact Mass: 2664.48
• IUPAC Name: 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
• SMILES: CCc1nc(N2CCCCC(NC)C2=O)no1.CNC1CCCCN(Cc2cocn2)C1=O.CNC1CCCCN(c2ccncn2)C1=O.CNC1CCCCN(c2cnccn2)C1=O.CNC1CCCCN(c2coc(C)n2)C1=O.CNC1CCCCN(c2cocn2)C1=O.CNC1CCCCN(c2csc(C)n2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2noc(C)n2)C1=O.CNC1CCCCN(c2nsc(C)n2)C1=O
• InChI: InChI=1S/C11H18N4O2.2C11H16N4O.2C11H17N3O2.C11H17N3OS.C10H16N4O2.C10H16N4OS.4C10H15N3O2/c1-3-9-13-11(14-17-9)15-7-5-4-6-8(12-2)10(15)16;1-12-9-4-2-3-7-15(11(9)16)10-8-13-5-6-14-10;1-12-9-4-2-3-7-15(11(9)16)10-5-6-13-8-14-10;1-8-13-10(7-16-8)14-6-4-3-5-9(12-2)11(14)15;1-12-10-4-2-3-5-14(11(10)15)6-9-7-16-8-13-9;1-8-13-10(7-16-8)14-6-4-3-5-9(12-2)11(14)15;2*1-7-12-10(13-16-7)14-6-4-3-5-8(11-2)9(14)15;3*1-11-8-4-2-3-6-13(9(8)14)10-12-5-7-15-10;1-11-8-4-2-3-5-13(10(8)14)9-6-15-7-12-9/h8,12H,3-7H2,1-2H3;2*5-6,8-9,12H,2-4,7H2,1H3;7,9,12H,3-6H2,1-2H3;7-8,10,12H,2-6H2,1H3;7,9,12H,3-6H2,1-2H3;2*8,11H,3-6H2,1-2H3;3*5,7-8,11H,2-4,6H2,1H3;6-8,11H,2-5H2,1H3
• InChIKey: AQBUFCHPRIGSPJ-UHFFFAOYSA-N
• XLogP: 9.87
• TPSA: 712.33 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 51
• Rotatable Bonds: 26
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.33
LogP ≤ 5	9.87
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?

The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one (CID 157194461) is 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one.

What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?

The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one is CCc1nc(N2CCCCC(NC)C2=O)no1.CNC1CCCCN(Cc2cocn2)C1=O.CNC1CCCCN(c2ccncn2)C1=O.CNC1CCCCN(c2cnccn2)C1=O.CNC1CCCCN(c2coc(C)n2)C1=O.CNC1CCCCN(c2cocn2)C1=O.CNC1CCCCN(c2csc(C)n2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2ncco2)C1=O.CNC1CCCCN(c2noc(C)n2)C1=O.CNC1CCCCN(c2nsc(C)n2)C1=O.

What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?

The InChIKey is AQBUFCHPRIGSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.2C11H16N4O.2C11H17N3O2.C11H17N3OS.C10H16N4O2.C10H16N4OS.4C10H15N3O2/c1-3-9-13-11(14-17-9)15-7-5-4-6-8(12-2)10(15)16;1-12-9-4-2-3-7-15(11(9)16)10-8-13-5-6-14-10;1-12-9-4-2-3-7-15(11(9)16)10-5-6-13-8-14-10;1-8-13-10(7-16-8)14-6-4-3-5-9(12-2)11(14)15;1-12-10-4-2-3-5-14(11(10)15)6-9-7-16-8-13-9;1-8-13-10(7-16-8)14-6-4-3-5-9(12-2)11(14)15;2*1-7-12-10(13-16-7)14-6-4-3-5-8(11-2)9(14)15;3*1-11-8-4-2-3-6-13(9(8)14)10-12-5-7-15-10;1-11-8-4-2-3-5-13(10(8)14)9-6-15-7-12-9/h8,12H,3-7H2,1-2H3;2*5-6,8-9,12H,2-4,7H2,1H3;7,9,12H,3-6H2,1-2H3;7-8,10,12H,2-6H2,1H3;7,9,12H,3-6H2,1-2H3;2*8,11H,3-6H2,1-2H3;3*5,7-8,11H,2-4,6H2,1H3;6-8,11H,2-5H2,1H3.

What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?

1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one has a molecular weight of 2666.33 g/mol, XLogP of 9.87, 26 rotatable bonds, 12 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethyl-1,2,4-oxadiazol-3-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;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one is sourced from PubChem (CID 157194461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).