4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one

C164H250N46O35S6 — CID 157273766

IUPAC4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCOC1C.CNC1C(=O)N(Cc2ccccn2)CCOC1C.CNC1C(=O)N(Cc2cocn2)CCOC1C.CNC1C(=O)N(Cc2cscn2)CCOC1C.CNC1C(=O)N(Cc2ncon2)CCOC1C.CNC1C(=O)N(Cc2ncsn2)CCOC1C.CNC1C(=O)N(c2cc[nH]c2)CCOC1C.CNC1C(=O)N(c2ccoc2)CCOC1C.CNC1C(=O)N(c2ccsc2)CCOC1C.CNC1C(=O)N(c2cnc[nH]2)CCOC1C.CNC1C(=O)N(c2coc(C)n2)CCOC1C.CNC1C(=O)N(c2cocn2)CCOC1C.CNC1C(=O)N(c2csc(C)n2)CCOC1C.CNC1C(=O)N(c2cscn2)CCOC1C.CNC1C(=O)N(c2nsc(C)n2)CCOC1C
InChIInChI=1S/C14H20N2O2.C13H19N3O2.2C11H17N3O3.2C11H17N3O2S.C11H17N3O2.C11H16N2O3.C11H16N2O2S.C10H16N4O3.2C10H16N4O2S.C10H16N4O2.C10H15N3O3.C10H15N3O2S/c1-11-13(15-2)14(17)16(8-9-18-11)10-12-6-4-3-5-7-12;1-10-12(14-2)13(17)16(7-8-18-10)9-11-5-3-4-6-15-11;1-7-10(12-3)11(15)14(4-5-16-7)9-6-17-8(2)13-9;1-8-10(12-2)11(15)14(3-4-17-8)5-9-6-16-7-13-9;1-7-10(12-3)11(15)14(4-5-16-7)9-6-17-8(2)13-9;1-8-10(12-2)11(15)14(3-4-16-8)5-9-6-17-7-13-9;1-8-10(12-2)11(15)14(5-6-16-8)9-3-4-13-7-9;1-8-10(12-2)11(14)13(4-6-16-8)9-3-5-15-7-9;1-8-10(12-2)11(14)13(4-5-15-8)9-3-6-16-7-9;1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8;1-6-8(11-3)9(15)14(4-5-16-6)10-12-7(2)17-13-10;1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8;1-7-9(11-2)10(15)14(3-4-16-7)8-5-12-6-13-8;1-7-9(11-2)10(14)13(3-4-16-7)8-5-15-6-12-8;1-7-9(11-2)10(14)13(3-4-15-7)8-5-16-6-12-8/h3-7,11,13,15H,8-10H2,1-2H3;3-6,10,12,14H,7-9H2,1-2H3;6-7,10,12H,4-5H2,1-3H3;6-8,10,12H,3-5H2,1-2H3;6-7,10,12H,4-5H2,1-3H3;6-8,10,12H,3-5H2,1-2H3;3-4,7-8,10,12-13H,5-6H2,1-2H3;3,5,7-8,10,12H,4,6H2,1-2H3;3,6-8,10,12H,4-5H2,1-2H3;6-7,9,11H,3-5H2,1-2H3;6,8,11H,4-5H2,1-3H3;6-7,9,11H,3-5H2,1-2H3;5-7,9,11H,3-4H2,1-2H3,(H,12,13);2*5-7,9,11H,3-4H2,1-2H3
InChIKeyAYVQJQJHVPCDCM-UHFFFAOYSA-N
MW3618.49 g/mol
LogP4.81
Rot. Bonds36

About 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one

4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one (PubChem CID 157273766) has the molecular formula C164H250N46O35S6 and a molecular weight of 3618.49 g/mol. Its IUPAC name is 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
PubChem CID157273766
Molecular FormulaC164H250N46O35S6
Molecular Weight3618.49 g/mol
Exact Mass3615.75
IUPAC Name4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCOC1C.CNC1C(=O)N(Cc2ccccn2)CCOC1C.CNC1C(=O)N(Cc2cocn2)CCOC1C.CNC1C(=O)N(Cc2cscn2)CCOC1C.CNC1C(=O)N(Cc2ncon2)CCOC1C.CNC1C(=O)N(Cc2ncsn2)CCOC1C.CNC1C(=O)N(c2cc[nH]c2)CCOC1C.CNC1C(=O)N(c2ccoc2)CCOC1C.CNC1C(=O)N(c2ccsc2)CCOC1C.CNC1C(=O)N(c2cnc[nH]2)CCOC1C.CNC1C(=O)N(c2coc(C)n2)CCOC1C.CNC1C(=O)N(c2cocn2)CCOC1C.CNC1C(=O)N(c2csc(C)n2)CCOC1C.CNC1C(=O)N(c2cscn2)CCOC1C.CNC1C(=O)N(c2nsc(C)n2)CCOC1C
InChIInChI=1S/C14H20N2O2.C13H19N3O2.2C11H17N3O3.2C11H17N3O2S.C11H17N3O2.C11H16N2O3.C11H16N2O2S.C10H16N4O3.2C10H16N4O2S.C10H16N4O2.C10H15N3O3.C10H15N3O2S/c1-11-13(15-2)14(17)16(8-9-18-11)10-12-6-4-3-5-7-12;1-10-12(14-2)13(17)16(7-8-18-10)9-11-5-3-4-6-15-11;1-7-10(12-3)11(15)14(4-5-16-7)9-6-17-8(2)13-9;1-8-10(12-2)11(15)14(3-4-17-8)5-9-6-16-7-13-9;1-7-10(12-3)11(15)14(4-5-16-7)9-6-17-8(2)13-9;1-8-10(12-2)11(15)14(3-4-16-8)5-9-6-17-7-13-9;1-8-10(12-2)11(15)14(5-6-16-8)9-3-4-13-7-9;1-8-10(12-2)11(14)13(4-6-16-8)9-3-5-15-7-9;1-8-10(12-2)11(14)13(4-5-15-8)9-3-6-16-7-9;1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8;1-6-8(11-3)9(15)14(4-5-16-6)10-12-7(2)17-13-10;1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8;1-7-9(11-2)10(15)14(3-4-16-7)8-5-12-6-13-8;1-7-9(11-2)10(14)13(3-4-16-7)8-5-15-6-12-8;1-7-9(11-2)10(14)13(3-4-15-7)8-5-16-6-12-8/h3-7,11,13,15H,8-10H2,1-2H3;3-6,10,12,14H,7-9H2,1-2H3;6-7,10,12H,4-5H2,1-3H3;6-8,10,12H,3-5H2,1-2H3;6-7,10,12H,4-5H2,1-3H3;6-8,10,12H,3-5H2,1-2H3;3-4,7-8,10,12-13H,5-6H2,1-2H3;3,5,7-8,10,12H,4,6H2,1-2H3;3,6-8,10,12H,4-5H2,1-2H3;6-7,9,11H,3-5H2,1-2H3;6,8,11H,4-5H2,1-3H3;6-7,9,11H,3-5H2,1-2H3;5-7,9,11H,3-4H2,1-2H3,(H,12,13);2*5-7,9,11H,3-4H2,1-2H3
InChIKeyAYVQJQJHVPCDCM-UHFFFAOYSA-N
XLogP4.81
TPSA901.29 Ų
H-Bond Donors17
H-Bond Acceptors70
Rotatable Bonds36
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003618.49
LogP ≤ 54.81
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1070

Analyze 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?
The IUPAC name of 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one (CID 157273766) is 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one.
What is the SMILES notation for 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?
The canonical SMILES for 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one is CNC1C(=O)N(Cc2ccccc2)CCOC1C.CNC1C(=O)N(Cc2ccccn2)CCOC1C.CNC1C(=O)N(Cc2cocn2)CCOC1C.CNC1C(=O)N(Cc2cscn2)CCOC1C.CNC1C(=O)N(Cc2ncon2)CCOC1C.CNC1C(=O)N(Cc2ncsn2)CCOC1C.CNC1C(=O)N(c2cc[nH]c2)CCOC1C.CNC1C(=O)N(c2ccoc2)CCOC1C.CNC1C(=O)N(c2ccsc2)CCOC1C.CNC1C(=O)N(c2cnc[nH]2)CCOC1C.CNC1C(=O)N(c2coc(C)n2)CCOC1C.CNC1C(=O)N(c2cocn2)CCOC1C.CNC1C(=O)N(c2csc(C)n2)CCOC1C.CNC1C(=O)N(c2cscn2)CCOC1C.CNC1C(=O)N(c2nsc(C)n2)CCOC1C.
What is the InChIKey of 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?
The InChIKey is AYVQJQJHVPCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C13H19N3O2.2C11H17N3O3.2C11H17N3O2S.C11H17N3O2.C11H16N2O3.C11H16N2O2S.C10H16N4O3.2C10H16N4O2S.C10H16N4O2.C10H15N3O3.C10H15N3O2S/c1-11-13(15-2)14(17)16(8-9-18-11)10-12-6-4-3-5-7-12;1-10-12(14-2)13(17)16(7-8-18-10)9-11-5-3-4-6-15-11;1-7-10(12-3)11(15)14(4-5-16-7)9-6-17-8(2)13-9;1-8-10(12-2)11(15)14(3-4-17-8)5-9-6-16-7-13-9;1-7-10(12-3)11(15)14(4-5-16-7)9-6-17-8(2)13-9;1-8-10(12-2)11(15)14(3-4-16-8)5-9-6-17-7-13-9;1-8-10(12-2)11(15)14(5-6-16-8)9-3-4-13-7-9;1-8-10(12-2)11(14)13(4-6-16-8)9-3-5-15-7-9;1-8-10(12-2)11(14)13(4-5-15-8)9-3-6-16-7-9;1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8;1-6-8(11-3)9(15)14(4-5-16-6)10-12-7(2)17-13-10;1-7-9(11-2)10(15)14(3-4-16-7)5-8-12-6-17-13-8;1-7-9(11-2)10(15)14(3-4-16-7)8-5-12-6-13-8;1-7-9(11-2)10(14)13(3-4-16-7)8-5-15-6-12-8;1-7-9(11-2)10(14)13(3-4-15-7)8-5-16-6-12-8/h3-7,11,13,15H,8-10H2,1-2H3;3-6,10,12,14H,7-9H2,1-2H3;6-7,10,12H,4-5H2,1-3H3;6-8,10,12H,3-5H2,1-2H3;6-7,10,12H,4-5H2,1-3H3;6-8,10,12H,3-5H2,1-2H3;3-4,7-8,10,12-13H,5-6H2,1-2H3;3,5,7-8,10,12H,4,6H2,1-2H3;3,6-8,10,12H,4-5H2,1-2H3;6-7,9,11H,3-5H2,1-2H3;6,8,11H,4-5H2,1-3H3;6-7,9,11H,3-5H2,1-2H3;5-7,9,11H,3-4H2,1-2H3,(H,12,13);2*5-7,9,11H,3-4H2,1-2H3.
What are the key properties of 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one?
4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one has a molecular weight of 3618.49 g/mol, XLogP of 4.81, 36 rotatable bonds, 17 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(5-methyl-1,2,4-thiadiazol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(2-methyl-1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-oxadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,2,4-thiadiazol-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one is sourced from PubChem (CID 157273766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).