4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one

C66H103N19O15S2 — CID 158197036

IUPAC4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ccno2)CCOC1C.CNC1C(=O)N(Cc2cnco2)CCOC1C.CNC1C(=O)N(Cc2cncs2)CCOC1C.CNC1C(=O)N(Cc2ncc[nH]2)CCOC1C.CNC1C(=O)N(Cc2ncco2)CCOC1C.CNC1C(=O)N(Cc2nccs2)CCOC1C
InChIInChI=1S/C11H18N4O2.3C11H17N3O3.2C11H17N3O2S/c1-8-10(12-2)11(16)15(5-6-17-8)7-9-13-3-4-14-9;1-8-10(12-2)11(15)14(4-6-16-8)7-9-13-3-5-17-9;1-8-10(12-2)11(15)14(3-4-16-8)6-9-5-13-7-17-9;1-8-10(12-2)11(15)14(5-6-16-8)7-9-3-4-13-17-9;1-8-10(12-2)11(15)14(4-5-16-8)7-9-13-3-6-17-9;1-8-10(12-2)11(15)14(3-4-16-8)6-9-5-13-7-17-9/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,14);3,5,8,10,12H,4,6-7H2,1-2H3;5,7-8,10,12H,3-4,6H2,1-2H3;3-4,8,10,12H,5-7H2,1-2H3;3,6,8,10,12H,4-5,7H2,1-2H3;5,7-8,10,12H,3-4,6H2,1-2H3
InChIKeyGALQXTOMMHNULY-UHFFFAOYSA-N
MW1466.80 g/mol
LogP0.73
Rot. Bonds18

About 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one

4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one (PubChem CID 158197036) has the molecular formula C66H103N19O15S2 and a molecular weight of 1466.80 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one
PubChem CID158197036
Molecular FormulaC66H103N19O15S2
Molecular Weight1466.80 g/mol
Exact Mass1465.73
IUPAC Name4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ccno2)CCOC1C.CNC1C(=O)N(Cc2cnco2)CCOC1C.CNC1C(=O)N(Cc2cncs2)CCOC1C.CNC1C(=O)N(Cc2ncc[nH]2)CCOC1C.CNC1C(=O)N(Cc2ncco2)CCOC1C.CNC1C(=O)N(Cc2nccs2)CCOC1C
InChIInChI=1S/C11H18N4O2.3C11H17N3O3.2C11H17N3O2S/c1-8-10(12-2)11(16)15(5-6-17-8)7-9-13-3-4-14-9;1-8-10(12-2)11(15)14(4-6-16-8)7-9-13-3-5-17-9;1-8-10(12-2)11(15)14(3-4-16-8)6-9-5-13-7-17-9;1-8-10(12-2)11(15)14(5-6-16-8)7-9-3-4-13-17-9;1-8-10(12-2)11(15)14(4-5-16-8)7-9-13-3-6-17-9;1-8-10(12-2)11(15)14(3-4-16-8)6-9-5-13-7-17-9/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,14);3,5,8,10,12H,4,6-7H2,1-2H3;5,7-8,10,12H,3-4,6H2,1-2H3;3-4,8,10,12H,5-7H2,1-2H3;3,6,8,10,12H,4-5,7H2,1-2H3;5,7-8,10,12H,3-4,6H2,1-2H3
InChIKeyGALQXTOMMHNULY-UHFFFAOYSA-N
XLogP0.73
TPSA381.97 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001466.80
LogP ≤ 50.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-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 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one (CID 158197036) is 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one is CNC1C(=O)N(Cc2ccno2)CCOC1C.CNC1C(=O)N(Cc2cnco2)CCOC1C.CNC1C(=O)N(Cc2cncs2)CCOC1C.CNC1C(=O)N(Cc2ncc[nH]2)CCOC1C.CNC1C(=O)N(Cc2ncco2)CCOC1C.CNC1C(=O)N(Cc2nccs2)CCOC1C.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one?
The InChIKey is GALQXTOMMHNULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.3C11H17N3O3.2C11H17N3O2S/c1-8-10(12-2)11(16)15(5-6-17-8)7-9-13-3-4-14-9;1-8-10(12-2)11(15)14(4-6-16-8)7-9-13-3-5-17-9;1-8-10(12-2)11(15)14(3-4-16-8)6-9-5-13-7-17-9;1-8-10(12-2)11(15)14(5-6-16-8)7-9-3-4-13-17-9;1-8-10(12-2)11(15)14(4-5-16-8)7-9-13-3-6-17-9;1-8-10(12-2)11(15)14(3-4-16-8)6-9-5-13-7-17-9/h3-4,8,10,12H,5-7H2,1-2H3,(H,13,14);3,5,8,10,12H,4,6-7H2,1-2H3;5,7-8,10,12H,3-4,6H2,1-2H3;3-4,8,10,12H,5-7H2,1-2H3;3,6,8,10,12H,4-5,7H2,1-2H3;5,7-8,10,12H,3-4,6H2,1-2H3.
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one?
4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one has a molecular weight of 1466.80 g/mol, XLogP of 0.73, 18 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-5-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepan-5-one is sourced from PubChem (CID 158197036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).