4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one

C160H238N44O31S2 — CID 162252665

IUPAC4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(c2ccccc2)CCOC1C.CNC1C(=O)N(c2ccccn2)CCOC1C.CNC1C(=O)N(c2cccnc2)CCOC1C.CNC1C(=O)N(c2cccnn2)CCOC1C.CNC1C(=O)N(c2ccncc2)CCOC1C.CNC1C(=O)N(c2ccncn2)CCOC1C.CNC1C(=O)N(c2cnccn2)CCOC1C.CNC1C(=O)N(c2ncco2)CCOC1C.CNC1COCCN(CC2=CC(C)(C)C=C2)C1=O.CNC1COCCN(CC2=CC=CC2(C)C)C1=O.CNC1COCCN(Cc2cnc(C)o2)C1=O.CNC1COCCN(Cc2cnc(C)s2)C1=O.CNC1COCCN(Cc2nnco2)C1=O.CNC1COCCN(Cc2nncs2)C1=O
InChIInChI=1S/2C14H22N2O2.C13H18N2O2.3C12H17N3O2.3C11H16N4O2.C11H17N3O3.C11H17N3O2S.C10H15N3O3.C9H14N4O3.C9H14N4O2S/c1-14(2)5-4-11(8-14)9-16-6-7-18-10-12(15-3)13(16)17;1-14(2)6-4-5-11(14)9-16-7-8-18-10-12(15-3)13(16)17;1-10-12(14-2)13(16)15(8-9-17-10)11-6-4-3-5-7-11;1-9-11(13-2)12(16)15(7-8-17-9)10-3-5-14-6-4-10;1-9-11(13-2)12(16)15(6-7-17-9)10-4-3-5-14-8-10;1-9-11(13-2)12(16)15(7-8-17-9)10-5-3-4-6-14-10;1-8-10(12-2)11(16)15(5-6-17-8)9-7-13-3-4-14-9;1-8-10(12-2)11(16)15(5-6-17-8)9-3-4-13-7-14-9;1-8-10(12-2)11(16)15(6-7-17-8)9-4-3-5-13-14-9;2*1-8-13-5-9(17-8)6-14-3-4-16-7-10(12-2)11(14)15;1-7-8(11-2)9(14)13(4-6-15-7)10-12-3-5-16-10;2*1-10-7-5-15-3-2-13(9(7)14)4-8-12-11-6-16-8/h4-5,8,12,15H,6-7,9-10H2,1-3H3;4-6,12,15H,7-10H2,1-3H3;3-7,10,12,14H,8-9H2,1-2H3;3-6,9,11,13H,7-8H2,1-2H3;3-5,8-9,11,13H,6-7H2,1-2H3;3-6,9,11,13H,7-8H2,1-2H3;2*3-4,7-8,10,12H,5-6H2,1-2H3;3-5,8,10,12H,6-7H2,1-2H3;2*5,10,12H,3-4,6-7H2,1-2H3;3,5,7-8,11H,4,6H2,1-2H3;2*6-7,10H,2-5H2,1H3
InChIKeyZYEOJYNZJYPXEU-UHFFFAOYSA-N
MW3338.07 g/mol
LogP2.49
Rot. Bonds34

About 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one

4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one (PubChem CID 162252665) has the molecular formula C160H238N44O31S2 and a molecular weight of 3338.07 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one
PubChem CID162252665
Molecular FormulaC160H238N44O31S2
Molecular Weight3338.07 g/mol
Exact Mass3335.78
IUPAC Name4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(c2ccccc2)CCOC1C.CNC1C(=O)N(c2ccccn2)CCOC1C.CNC1C(=O)N(c2cccnc2)CCOC1C.CNC1C(=O)N(c2cccnn2)CCOC1C.CNC1C(=O)N(c2ccncc2)CCOC1C.CNC1C(=O)N(c2ccncn2)CCOC1C.CNC1C(=O)N(c2cnccn2)CCOC1C.CNC1C(=O)N(c2ncco2)CCOC1C.CNC1COCCN(CC2=CC(C)(C)C=C2)C1=O.CNC1COCCN(CC2=CC=CC2(C)C)C1=O.CNC1COCCN(Cc2cnc(C)o2)C1=O.CNC1COCCN(Cc2cnc(C)s2)C1=O.CNC1COCCN(Cc2nnco2)C1=O.CNC1COCCN(Cc2nncs2)C1=O
InChIInChI=1S/2C14H22N2O2.C13H18N2O2.3C12H17N3O2.3C11H16N4O2.C11H17N3O3.C11H17N3O2S.C10H15N3O3.C9H14N4O3.C9H14N4O2S/c1-14(2)5-4-11(8-14)9-16-6-7-18-10-12(15-3)13(16)17;1-14(2)6-4-5-11(14)9-16-7-8-18-10-12(15-3)13(16)17;1-10-12(14-2)13(16)15(8-9-17-10)11-6-4-3-5-7-11;1-9-11(13-2)12(16)15(7-8-17-9)10-3-5-14-6-4-10;1-9-11(13-2)12(16)15(6-7-17-9)10-4-3-5-14-8-10;1-9-11(13-2)12(16)15(7-8-17-9)10-5-3-4-6-14-10;1-8-10(12-2)11(16)15(5-6-17-8)9-7-13-3-4-14-9;1-8-10(12-2)11(16)15(5-6-17-8)9-3-4-13-7-14-9;1-8-10(12-2)11(16)15(6-7-17-8)9-4-3-5-13-14-9;2*1-8-13-5-9(17-8)6-14-3-4-16-7-10(12-2)11(14)15;1-7-8(11-2)9(14)13(4-6-15-7)10-12-3-5-16-10;2*1-10-7-5-15-3-2-13(9(7)14)4-8-12-11-6-16-8/h4-5,8,12,15H,6-7,9-10H2,1-3H3;4-6,12,15H,7-10H2,1-3H3;3-7,10,12,14H,8-9H2,1-2H3;3-6,9,11,13H,7-8H2,1-2H3;3-5,8-9,11,13H,6-7H2,1-2H3;3-6,9,11,13H,7-8H2,1-2H3;2*3-4,7-8,10,12H,5-6H2,1-2H3;3-5,8,10,12H,6-7H2,1-2H3;2*5,10,12H,3-4,6-7H2,1-2H3;3,5,7-8,11H,4,6H2,1-2H3;2*6-7,10H,2-5H2,1H3
InChIKeyZYEOJYNZJYPXEU-UHFFFAOYSA-N
XLogP2.49
TPSA827.64 Ų
H-Bond Donors14
H-Bond Acceptors63
Rotatable Bonds34
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003338.07
LogP ≤ 52.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1063

Analyze 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one?
The IUPAC name of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one (CID 162252665) is 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one.
What is the SMILES notation for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one?
The canonical SMILES for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one is CNC1C(=O)N(c2ccccc2)CCOC1C.CNC1C(=O)N(c2ccccn2)CCOC1C.CNC1C(=O)N(c2cccnc2)CCOC1C.CNC1C(=O)N(c2cccnn2)CCOC1C.CNC1C(=O)N(c2ccncc2)CCOC1C.CNC1C(=O)N(c2ccncn2)CCOC1C.CNC1C(=O)N(c2cnccn2)CCOC1C.CNC1C(=O)N(c2ncco2)CCOC1C.CNC1COCCN(CC2=CC(C)(C)C=C2)C1=O.CNC1COCCN(CC2=CC=CC2(C)C)C1=O.CNC1COCCN(Cc2cnc(C)o2)C1=O.CNC1COCCN(Cc2cnc(C)s2)C1=O.CNC1COCCN(Cc2nnco2)C1=O.CNC1COCCN(Cc2nncs2)C1=O.
What is the InChIKey of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one?
The InChIKey is ZYEOJYNZJYPXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22N2O2.C13H18N2O2.3C12H17N3O2.3C11H16N4O2.C11H17N3O3.C11H17N3O2S.C10H15N3O3.C9H14N4O3.C9H14N4O2S/c1-14(2)5-4-11(8-14)9-16-6-7-18-10-12(15-3)13(16)17;1-14(2)6-4-5-11(14)9-16-7-8-18-10-12(15-3)13(16)17;1-10-12(14-2)13(16)15(8-9-17-10)11-6-4-3-5-7-11;1-9-11(13-2)12(16)15(7-8-17-9)10-3-5-14-6-4-10;1-9-11(13-2)12(16)15(6-7-17-9)10-4-3-5-14-8-10;1-9-11(13-2)12(16)15(7-8-17-9)10-5-3-4-6-14-10;1-8-10(12-2)11(16)15(5-6-17-8)9-7-13-3-4-14-9;1-8-10(12-2)11(16)15(5-6-17-8)9-3-4-13-7-14-9;1-8-10(12-2)11(16)15(6-7-17-8)9-4-3-5-13-14-9;2*1-8-13-5-9(17-8)6-14-3-4-16-7-10(12-2)11(14)15;1-7-8(11-2)9(14)13(4-6-15-7)10-12-3-5-16-10;2*1-10-7-5-15-3-2-13(9(7)14)4-8-12-11-6-16-8/h4-5,8,12,15H,6-7,9-10H2,1-3H3;4-6,12,15H,7-10H2,1-3H3;3-7,10,12,14H,8-9H2,1-2H3;3-6,9,11,13H,7-8H2,1-2H3;3-5,8-9,11,13H,6-7H2,1-2H3;3-6,9,11,13H,7-8H2,1-2H3;2*3-4,7-8,10,12H,5-6H2,1-2H3;3-5,8,10,12H,6-7H2,1-2H3;2*5,10,12H,3-4,6-7H2,1-2H3;3,5,7-8,11H,4,6H2,1-2H3;2*6-7,10H,2-5H2,1H3.
What are the key properties of 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one?
4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one has a molecular weight of 3338.07 g/mol, XLogP of 2.49, 34 rotatable bonds, 14 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;4-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-oxadiazol-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3,4-thiadiazol-2-ylmethyl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-(1,3-oxazol-2-yl)-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-phenyl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrazin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridazin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-2-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyridin-4-yl-1,4-oxazepan-5-one;7-methyl-6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one is sourced from PubChem (CID 162252665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).