4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one

C162H244N48O31S3 — CID 160806885

IUPAC4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCOC1C.CNC1C(=O)N(Cc2ccccn2)CCOC1C.CNC1C(=O)N(Cc2cccnc2)CCOC1C.CNC1C(=O)N(Cc2cccnn2)CCOC1C.CNC1C(=O)N(Cc2ccncc2)CCOC1C.CNC1C(=O)N(Cc2ccncn2)CCOC1C.CNC1C(=O)N(Cc2cnccn2)CCOC1C.CNC1C(=O)N(Cc2cocn2)CCOC1C.CNC1C(=O)N(Cc2cscn2)CCOC1C.CNC1C(=O)N(Cc2ncncn2)CCOC1C.CNC1C(=O)N(Cc2ncon2)CCOC1C.CNC1C(=O)N(Cc2ncsn2)CCOC1C.CNC1C(=O)N(c2cocn2)CCOC1C.CNC1C(=O)N(c2cscn2)CCOC1C
InChIInChI=1S/C14H20N2O2.3C13H19N3O2.3C12H18N4O2.C11H17N5O2.C11H17N3O3.C11H17N3O2S.C10H16N4O3.C10H16N4O2S.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)9-11-3-5-15-6-4-11;1-10-12(14-2)13(17)16(6-7-18-10)9-11-4-3-5-15-8-11;1-10-12(14-2)13(17)16(7-8-18-10)9-11-5-3-4-6-15-11;1-9-11(13-2)12(17)16(5-6-18-9)8-10-7-14-3-4-15-10;1-9-11(13-2)12(17)16(5-6-18-9)7-10-3-4-14-8-15-10;1-9-11(13-2)12(17)16(6-7-18-9)8-10-4-3-5-14-15-10;1-8-10(12-2)11(17)16(3-4-18-8)5-9-14-6-13-7-15-9;1-8-10(12-2)11(15)14(3-4-17-8)5-9-6-16-7-13-9;1-8-10(12-2)11(15)14(3-4-16-8)5-9-6-17-7-13-9;2*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(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;3-5,8,10,12,14H,6-7,9H2,1-2H3;3-6,10,12,14H,7-9H2,1-2H3;3-4,7,9,11,13H,5-6,8H2,1-2H3;3-4,8-9,11,13H,5-7H2,1-2H3;3-5,9,11,13H,6-8H2,1-2H3;6-8,10,12H,3-5H2,1-2H3;2*6-8,10,12H,3-5H2,1-2H3;2*6-7,9,11H,3-5H2,1-2H3;2*5-7,9,11H,3-4H2,1-2H3
InChIKeySDUQHJFUJLRWNK-UHFFFAOYSA-N
MW3456.24 g/mol
LogP1.18
Rot. Bonds40

About 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one

4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one (PubChem CID 160806885) has the molecular formula C162H244N48O31S3 and a molecular weight of 3456.24 g/mol. Its IUPAC name is 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one
PubChem CID160806885
Molecular FormulaC162H244N48O31S3
Molecular Weight3456.24 g/mol
Exact Mass3453.82
IUPAC Name4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(Cc2ccccc2)CCOC1C.CNC1C(=O)N(Cc2ccccn2)CCOC1C.CNC1C(=O)N(Cc2cccnc2)CCOC1C.CNC1C(=O)N(Cc2cccnn2)CCOC1C.CNC1C(=O)N(Cc2ccncc2)CCOC1C.CNC1C(=O)N(Cc2ccncn2)CCOC1C.CNC1C(=O)N(Cc2cnccn2)CCOC1C.CNC1C(=O)N(Cc2cocn2)CCOC1C.CNC1C(=O)N(Cc2cscn2)CCOC1C.CNC1C(=O)N(Cc2ncncn2)CCOC1C.CNC1C(=O)N(Cc2ncon2)CCOC1C.CNC1C(=O)N(Cc2ncsn2)CCOC1C.CNC1C(=O)N(c2cocn2)CCOC1C.CNC1C(=O)N(c2cscn2)CCOC1C
InChIInChI=1S/C14H20N2O2.3C13H19N3O2.3C12H18N4O2.C11H17N5O2.C11H17N3O3.C11H17N3O2S.C10H16N4O3.C10H16N4O2S.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)9-11-3-5-15-6-4-11;1-10-12(14-2)13(17)16(6-7-18-10)9-11-4-3-5-15-8-11;1-10-12(14-2)13(17)16(7-8-18-10)9-11-5-3-4-6-15-11;1-9-11(13-2)12(17)16(5-6-18-9)8-10-7-14-3-4-15-10;1-9-11(13-2)12(17)16(5-6-18-9)7-10-3-4-14-8-15-10;1-9-11(13-2)12(17)16(6-7-18-9)8-10-4-3-5-14-15-10;1-8-10(12-2)11(17)16(3-4-18-8)5-9-14-6-13-7-15-9;1-8-10(12-2)11(15)14(3-4-17-8)5-9-6-16-7-13-9;1-8-10(12-2)11(15)14(3-4-16-8)5-9-6-17-7-13-9;2*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(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;3-5,8,10,12,14H,6-7,9H2,1-2H3;3-6,10,12,14H,7-9H2,1-2H3;3-4,7,9,11,13H,5-6,8H2,1-2H3;3-4,8-9,11,13H,5-7H2,1-2H3;3-5,9,11,13H,6-8H2,1-2H3;6-8,10,12H,3-5H2,1-2H3;2*6-8,10,12H,3-5H2,1-2H3;2*6-7,9,11H,3-5H2,1-2H3;2*5-7,9,11H,3-4H2,1-2H3
InChIKeySDUQHJFUJLRWNK-UHFFFAOYSA-N
XLogP1.18
TPSA879.20 Ų
H-Bond Donors14
H-Bond Acceptors68
Rotatable Bonds40
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003456.24
LogP ≤ 51.18
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1068

Analyze 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-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;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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one?
The IUPAC name of 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one (CID 160806885) is 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one?
The canonical SMILES for 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one is CNC1C(=O)N(Cc2ccccc2)CCOC1C.CNC1C(=O)N(Cc2ccccn2)CCOC1C.CNC1C(=O)N(Cc2cccnc2)CCOC1C.CNC1C(=O)N(Cc2cccnn2)CCOC1C.CNC1C(=O)N(Cc2ccncc2)CCOC1C.CNC1C(=O)N(Cc2ccncn2)CCOC1C.CNC1C(=O)N(Cc2cnccn2)CCOC1C.CNC1C(=O)N(Cc2cocn2)CCOC1C.CNC1C(=O)N(Cc2cscn2)CCOC1C.CNC1C(=O)N(Cc2ncncn2)CCOC1C.CNC1C(=O)N(Cc2ncon2)CCOC1C.CNC1C(=O)N(Cc2ncsn2)CCOC1C.CNC1C(=O)N(c2cocn2)CCOC1C.CNC1C(=O)N(c2cscn2)CCOC1C.
What is the InChIKey of 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one?
The InChIKey is SDUQHJFUJLRWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.3C13H19N3O2.3C12H18N4O2.C11H17N5O2.C11H17N3O3.C11H17N3O2S.C10H16N4O3.C10H16N4O2S.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)9-11-3-5-15-6-4-11;1-10-12(14-2)13(17)16(6-7-18-10)9-11-4-3-5-15-8-11;1-10-12(14-2)13(17)16(7-8-18-10)9-11-5-3-4-6-15-11;1-9-11(13-2)12(17)16(5-6-18-9)8-10-7-14-3-4-15-10;1-9-11(13-2)12(17)16(5-6-18-9)7-10-3-4-14-8-15-10;1-9-11(13-2)12(17)16(6-7-18-9)8-10-4-3-5-14-15-10;1-8-10(12-2)11(17)16(3-4-18-8)5-9-14-6-13-7-15-9;1-8-10(12-2)11(15)14(3-4-17-8)5-9-6-16-7-13-9;1-8-10(12-2)11(15)14(3-4-16-8)5-9-6-17-7-13-9;2*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(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;3-5,8,10,12,14H,6-7,9H2,1-2H3;3-6,10,12,14H,7-9H2,1-2H3;3-4,7,9,11,13H,5-6,8H2,1-2H3;3-4,8-9,11,13H,5-7H2,1-2H3;3-5,9,11,13H,6-8H2,1-2H3;6-8,10,12H,3-5H2,1-2H3;2*6-8,10,12H,3-5H2,1-2H3;2*6-7,9,11H,3-5H2,1-2H3;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;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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one?
4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one has a molecular weight of 3456.24 g/mol, XLogP of 1.18, 40 rotatable bonds, 14 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-methyl-6-(methylamino)-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-(pyrazin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(pyrimidin-4-ylmethyl)-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-(1,3,5-triazin-2-ylmethyl)-1,4-oxazepan-5-one is sourced from PubChem (CID 160806885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).