3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one

C115H161N35O16S2 — CID 157157623

IUPAC3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one
SMILESCCc1nc(N2CC3CC3CC(NC)C2=O)no1.CNC1CC2CC2CN(c2ccncn2)C1=O.CNC1CC2CC2CN(c2cnccn2)C1=O.CNC1CC2CC2CN(c2coc(C)n2)C1=O.CNC1CC2CC2CN(c2csc(C)n2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2noc(C)n2)C1=O.CNC1CC2CC2CN(c2nsc(C)n2)C1=O
InChIInChI=1S/C12H18N4O2.2C12H16N4O.C12H17N3O2.C12H17N3OS.C11H16N4O2.C11H16N4OS.3C11H15N3O2/c1-3-10-14-12(15-18-10)16-6-8-4-7(8)5-9(13-2)11(16)17;1-13-10-5-8-4-9(8)7-16(12(10)17)11-6-14-2-3-15-11;1-13-10-5-8-4-9(8)6-16(12(10)17)11-2-3-14-7-15-11;2*1-7-14-11(6-17-7)15-5-9-3-8(9)4-10(13-2)12(15)16;2*1-6-13-11(14-17-6)15-5-8-3-7(8)4-9(12-2)10(15)16;3*1-12-9-5-7-4-8(7)6-14(10(9)15)11-13-2-3-16-11/h7-9,13H,3-6H2,1-2H3;2-3,6,8-10,13H,4-5,7H2,1H3;2-3,7-10,13H,4-6H2,1H3;2*6,8-10,13H,3-5H2,1-2H3;2*7-9,12H,3-5H2,1-2H3;3*2-3,7-9,12H,4-6H2,1H3
InChIKeyALZQDTLCVPWYIF-UHFFFAOYSA-N
MW2353.92 g/mol
LogP6.88
Rot. Bonds21

About 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one

3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 157157623) has the molecular formula C115H161N35O16S2 and a molecular weight of 2353.92 g/mol. Its IUPAC name is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one
PubChem CID157157623
Molecular FormulaC115H161N35O16S2
Molecular Weight2353.92 g/mol
Exact Mass2352.23
IUPAC Name3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one
SMILESCCc1nc(N2CC3CC3CC(NC)C2=O)no1.CNC1CC2CC2CN(c2ccncn2)C1=O.CNC1CC2CC2CN(c2cnccn2)C1=O.CNC1CC2CC2CN(c2coc(C)n2)C1=O.CNC1CC2CC2CN(c2csc(C)n2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2noc(C)n2)C1=O.CNC1CC2CC2CN(c2nsc(C)n2)C1=O
InChIInChI=1S/C12H18N4O2.2C12H16N4O.C12H17N3O2.C12H17N3OS.C11H16N4O2.C11H16N4OS.3C11H15N3O2/c1-3-10-14-12(15-18-10)16-6-8-4-7(8)5-9(13-2)11(16)17;1-13-10-5-8-4-9(8)7-16(12(10)17)11-6-14-2-3-15-11;1-13-10-5-8-4-9(8)6-16(12(10)17)11-2-3-14-7-15-11;2*1-7-14-11(6-17-7)15-5-9-3-8(9)4-10(13-2)12(15)16;2*1-6-13-11(14-17-6)15-5-8-3-7(8)4-9(12-2)10(15)16;3*1-12-9-5-7-4-8(7)6-14(10(9)15)11-13-2-3-16-11/h7-9,13H,3-6H2,1-2H3;2-3,6,8-10,13H,4-5,7H2,1H3;2-3,7-10,13H,4-6H2,1H3;2*6,8-10,13H,3-5H2,1-2H3;2*7-9,12H,3-5H2,1-2H3;3*2-3,7-9,12H,4-6H2,1H3
InChIKeyALZQDTLCVPWYIF-UHFFFAOYSA-N
XLogP6.88
TPSA595.59 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds21
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002353.92
LogP ≤ 56.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 157194461
7,7-Dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 157307019
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-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-pyrazin-2-yl-1,4-oxazepan-5-one;6-(methylamino)-4-pyrimidin-4-yl-1,4-oxazepan-5-one
CID 157651831
6,6-Dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;6,6-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157900238
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;6-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 157901428
5,5-Dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;5,5-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(5,5-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);5,5-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;5,5-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 158048663
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);4-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 158259030
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);3-(methylamino)-1-pyrazin-2-ylazepan-2-one;3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 158626469
CID 158832378
CID 158832378
7,7-Dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 159904611
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
CID 160021249
6,6-Dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)azepan-2-one;tris(6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;6,6-dimethyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;1-(5-ethyl-1,2,4-oxadiazol-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 160031289

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one (CID 157157623) is 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one is CCc1nc(N2CC3CC3CC(NC)C2=O)no1.CNC1CC2CC2CN(c2ccncn2)C1=O.CNC1CC2CC2CN(c2cnccn2)C1=O.CNC1CC2CC2CN(c2coc(C)n2)C1=O.CNC1CC2CC2CN(c2csc(C)n2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2noc(C)n2)C1=O.CNC1CC2CC2CN(c2nsc(C)n2)C1=O.
What is the InChIKey of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is ALZQDTLCVPWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.2C12H16N4O.C12H17N3O2.C12H17N3OS.C11H16N4O2.C11H16N4OS.3C11H15N3O2/c1-3-10-14-12(15-18-10)16-6-8-4-7(8)5-9(13-2)11(16)17;1-13-10-5-8-4-9(8)7-16(12(10)17)11-6-14-2-3-15-11;1-13-10-5-8-4-9(8)6-16(12(10)17)11-2-3-14-7-15-11;2*1-7-14-11(6-17-7)15-5-9-3-8(9)4-10(13-2)12(15)16;2*1-6-13-11(14-17-6)15-5-8-3-7(8)4-9(12-2)10(15)16;3*1-12-9-5-7-4-8(7)6-14(10(9)15)11-13-2-3-16-11/h7-9,13H,3-6H2,1-2H3;2-3,6,8-10,13H,4-5,7H2,1H3;2-3,7-10,13H,4-6H2,1H3;2*6,8-10,13H,3-5H2,1-2H3;2*7-9,12H,3-5H2,1-2H3;3*2-3,7-9,12H,4-6H2,1H3.
What are the key properties of 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one?
3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 2353.92 g/mol, XLogP of 6.88, 21 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(5-methyl-1,2,4-thiadiazol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(2-methyl-1,3-thiazol-4-yl)-3-azabicyclo[5.1.0]octan-4-one;tris(5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one);5-(methylamino)-3-pyrazin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyrimidin-4-yl-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 157157623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).