1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one

C72H115N19O9S2 — CID 159151671

IUPAC1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
SMILESCNC1CCC(C)CN(Cc2ccno2)C1=O.CNC1CCC(C)CN(Cc2cnco2)C1=O.CNC1CCC(C)CN(Cc2cncs2)C1=O.CNC1CCC(C)CN(Cc2ncc[nH]2)C1=O.CNC1CCC(C)CN(Cc2ncco2)C1=O.CNC1CCC(C)CN(Cc2nccs2)C1=O
InChIInChI=1S/C12H20N4O.3C12H19N3O2.2C12H19N3OS/c1-9-3-4-10(13-2)12(17)16(7-9)8-11-14-5-6-15-11;1-9-3-4-11(13-2)12(16)15(6-9)7-10-5-14-8-17-10;1-9-3-4-11(13-2)12(16)15(7-9)8-10-5-6-14-17-10;1-9-3-4-10(13-2)12(16)15(7-9)8-11-14-5-6-17-11;1-9-3-4-11(13-2)12(16)15(6-9)7-10-5-14-8-17-10;1-9-3-4-10(13-2)12(16)15(7-9)8-11-14-5-6-17-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,14,15);5,8-9,11,13H,3-4,6-7H2,1-2H3;5-6,9,11,13H,3-4,7-8H2,1-2H3;5-6,9-10,13H,3-4,7-8H2,1-2H3;5,8-9,11,13H,3-4,6-7H2,1-2H3;5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyKJJJVHIACGENEH-UHFFFAOYSA-N
MW1454.97 g/mol
LogP6.80
Rot. Bonds18

About 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one

1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one (PubChem CID 159151671) has the molecular formula C72H115N19O9S2 and a molecular weight of 1454.97 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
PubChem CID159151671
Molecular FormulaC72H115N19O9S2
Molecular Weight1454.97 g/mol
Exact Mass1453.86
IUPAC Name1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one
SMILESCNC1CCC(C)CN(Cc2ccno2)C1=O.CNC1CCC(C)CN(Cc2cnco2)C1=O.CNC1CCC(C)CN(Cc2cncs2)C1=O.CNC1CCC(C)CN(Cc2ncc[nH]2)C1=O.CNC1CCC(C)CN(Cc2ncco2)C1=O.CNC1CCC(C)CN(Cc2nccs2)C1=O
InChIInChI=1S/C12H20N4O.3C12H19N3O2.2C12H19N3OS/c1-9-3-4-10(13-2)12(17)16(7-9)8-11-14-5-6-15-11;1-9-3-4-11(13-2)12(16)15(6-9)7-10-5-14-8-17-10;1-9-3-4-11(13-2)12(16)15(7-9)8-10-5-6-14-17-10;1-9-3-4-10(13-2)12(16)15(7-9)8-11-14-5-6-17-11;1-9-3-4-11(13-2)12(16)15(6-9)7-10-5-14-8-17-10;1-9-3-4-10(13-2)12(16)15(7-9)8-11-14-5-6-17-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,14,15);5,8-9,11,13H,3-4,6-7H2,1-2H3;5-6,9,11,13H,3-4,7-8H2,1-2H3;5-6,9-10,13H,3-4,7-8H2,1-2H3;5,8-9,11,13H,3-4,6-7H2,1-2H3;5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeyKJJJVHIACGENEH-UHFFFAOYSA-N
XLogP6.80
TPSA326.59 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001454.97
LogP ≤ 56.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one (CID 159151671) is 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one is CNC1CCC(C)CN(Cc2ccno2)C1=O.CNC1CCC(C)CN(Cc2cnco2)C1=O.CNC1CCC(C)CN(Cc2cncs2)C1=O.CNC1CCC(C)CN(Cc2ncc[nH]2)C1=O.CNC1CCC(C)CN(Cc2ncco2)C1=O.CNC1CCC(C)CN(Cc2nccs2)C1=O.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
The InChIKey is KJJJVHIACGENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.3C12H19N3O2.2C12H19N3OS/c1-9-3-4-10(13-2)12(17)16(7-9)8-11-14-5-6-15-11;1-9-3-4-11(13-2)12(16)15(6-9)7-10-5-14-8-17-10;1-9-3-4-11(13-2)12(16)15(7-9)8-10-5-6-14-17-10;1-9-3-4-10(13-2)12(16)15(7-9)8-11-14-5-6-17-11;1-9-3-4-11(13-2)12(16)15(6-9)7-10-5-14-8-17-10;1-9-3-4-10(13-2)12(16)15(7-9)8-11-14-5-6-17-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,14,15);5,8-9,11,13H,3-4,6-7H2,1-2H3;5-6,9,11,13H,3-4,7-8H2,1-2H3;5-6,9-10,13H,3-4,7-8H2,1-2H3;5,8-9,11,13H,3-4,6-7H2,1-2H3;5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one?
1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one has a molecular weight of 1454.97 g/mol, XLogP of 6.80, 18 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one is sourced from PubChem (CID 159151671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).