4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one

C134H196N40O34S5 — CID 157273010

About 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one

4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one (PubChem CID 157273010) has the molecular formula C134H196N40O34S5 and a molecular weight of 3071.62 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
• PubChem CID: 157273010
• Molecular Formula: C134H196N40O34S5
• Molecular Weight: 3071.62 g/mol
• Exact Mass: 3069.34
• IUPAC Name: 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
• SMILES: CNC1COCCN(c2cc[nH]c2)C1=O.CNC1COCCN(c2ccc[nH]2)C1=O.CNC1COCCN(c2ccco2)C1=O.CNC1COCCN(c2cccs2)C1=O.CNC1COCCN(c2ccoc2)C1=O.CNC1COCCN(c2ccsc2)C1=O.CNC1COCCN(c2cnc[nH]2)C1=O.CNC1COCCN(c2coc(C)n2)C1=O.CNC1COCCN(c2csc(C)n2)C1=O.CNC1COCCN(c2ncco2)C1=O.CNC1COCCN(c2ncco2)C1=O.CNC1COCCN(c2ncco2)C1=O.CNC1COCCN(c2nccs2)C1=O.CNC1COCCN(c2nsc(C)n2)C1=O
• InChI: InChI=1S/C10H15N3O3.C10H15N3O2S.2C10H15N3O2.2C10H14N2O3.2C10H14N2O2S.C9H14N4O2S.C9H14N4O2.3C9H13N3O3.C9H13N3O2S/c2*1-7-12-9(6-16-7)13-3-4-15-5-8(11-2)10(13)14;1-11-9-7-15-5-4-13(10(9)14)8-2-3-12-6-8;1-11-8-7-15-6-5-13(10(8)14)9-3-2-4-12-9;1-11-9-7-15-5-3-12(10(9)13)8-2-4-14-6-8;1-11-8-7-14-6-4-12(10(8)13)9-3-2-5-15-9;1-11-9-6-14-4-3-12(10(9)13)8-2-5-15-7-8;1-11-8-7-14-5-4-12(10(8)13)9-3-2-6-15-9;1-6-11-9(12-16-6)13-3-4-15-5-7(10-2)8(13)14;1-10-7-5-15-3-2-13(9(7)14)8-4-11-6-12-8;3*1-10-7-6-14-5-3-12(8(7)13)9-11-2-4-15-9;1-10-7-6-14-4-3-12(8(7)13)9-11-2-5-15-9/h2*6,8,11H,3-5H2,1-2H3;2-3,6,9,11-12H,4-5,7H2,1H3;2-4,8,11-12H,5-7H2,1H3;2,4,6,9,11H,3,5,7H2,1H3;2-3,5,8,11H,4,6-7H2,1H3;2,5,7,9,11H,3-4,6H2,1H3;2-3,6,8,11H,4-5,7H2,1H3;7,10H,3-5H2,1-2H3;4,6-7,10H,2-3,5H2,1H3,(H,11,12);3*2,4,7,10H,3,5-6H2,1H3;2,5,7,10H,3-4,6H2,1H3
• InChIKey: AYTHTKVUXWPLAP-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 824.20 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 62
• Rotatable Bonds: 28
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3071.62
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	62

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?

The IUPAC name of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one (CID 157273010) is 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one.

What is the SMILES notation for 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?

The canonical SMILES for 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one is CNC1COCCN(c2cc[nH]c2)C1=O.CNC1COCCN(c2ccc[nH]2)C1=O.CNC1COCCN(c2ccco2)C1=O.CNC1COCCN(c2cccs2)C1=O.CNC1COCCN(c2ccoc2)C1=O.CNC1COCCN(c2ccsc2)C1=O.CNC1COCCN(c2cnc[nH]2)C1=O.CNC1COCCN(c2coc(C)n2)C1=O.CNC1COCCN(c2csc(C)n2)C1=O.CNC1COCCN(c2ncco2)C1=O.CNC1COCCN(c2ncco2)C1=O.CNC1COCCN(c2ncco2)C1=O.CNC1COCCN(c2nccs2)C1=O.CNC1COCCN(c2nsc(C)n2)C1=O.

What is the InChIKey of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?

The InChIKey is AYTHTKVUXWPLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.C10H15N3O2S.2C10H15N3O2.2C10H14N2O3.2C10H14N2O2S.C9H14N4O2S.C9H14N4O2.3C9H13N3O3.C9H13N3O2S/c2*1-7-12-9(6-16-7)13-3-4-15-5-8(11-2)10(13)14;1-11-9-7-15-5-4-13(10(9)14)8-2-3-12-6-8;1-11-8-7-15-6-5-13(10(8)14)9-3-2-4-12-9;1-11-9-7-15-5-3-12(10(9)13)8-2-4-14-6-8;1-11-8-7-14-6-4-12(10(8)13)9-3-2-5-15-9;1-11-9-6-14-4-3-12(10(9)13)8-2-5-15-7-8;1-11-8-7-14-5-4-12(10(8)13)9-3-2-6-15-9;1-6-11-9(12-16-6)13-3-4-15-5-7(10-2)8(13)14;1-10-7-5-15-3-2-13(9(7)14)8-4-11-6-12-8;3*1-10-7-6-14-5-3-12(8(7)13)9-11-2-4-15-9;1-10-7-6-14-4-3-12(8(7)13)9-11-2-5-15-9/h2*6,8,11H,3-5H2,1-2H3;2-3,6,9,11-12H,4-5,7H2,1H3;2-4,8,11-12H,5-7H2,1H3;2,4,6,9,11H,3,5,7H2,1H3;2-3,5,8,11H,4,6-7H2,1H3;2,5,7,9,11H,3-4,6H2,1H3;2-3,6,8,11H,4-5,7H2,1H3;7,10H,3-5H2,1-2H3;4,6-7,10H,2-3,5H2,1H3,(H,11,12);3*2,4,7,10H,3,5-6H2,1H3;2,5,7,10H,3-4,6H2,1H3.

What are the key properties of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?

4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one has a molecular weight of 3071.62 g/mol, XLogP of 0.26, 28 rotatable bonds, 17 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;tris(6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one);6-(methylamino)-4-(1H-pyrrol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one is sourced from PubChem (CID 157273010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).