1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride

C12H19ClN4O2 — CID 154910718

IUPAC1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride
SMILESCc1nonc1CC(=O)N1C[C@H]2CC[C@@H](C1)C2N.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-7-10(15-18-14-7)4-11(17)16-5-8-2-3-9(6-16)12(8)13;/h8-9,12H,2-6,13H2,1H3;1H/t8-,9+,12?;
InChIKeyIVTSXAZFMBWZHZ-JPZCCUCESA-N
MW286.76 g/mol
LogP0.54
Rot. Bonds2

About 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride

1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride (PubChem CID 154910718) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride
PubChem CID154910718
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride
SMILESCc1nonc1CC(=O)N1C[C@H]2CC[C@@H](C1)C2N.Cl
InChIInChI=1S/C12H18N4O2.ClH/c1-7-10(15-18-14-7)4-11(17)16-5-8-2-3-9(6-16)12(8)13;/h8-9,12H,2-6,13H2,1H3;1H/t8-,9+,12?;
InChIKeyIVTSXAZFMBWZHZ-JPZCCUCESA-N
XLogP0.54
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride with MolForge

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Related Compounds

(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
CID 125014139
(3R,4S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166299598
1-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 72879463
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(3-methylpyrazol-1-yl)ethanone;hydrochloride
CID 154908027
1-[(2S)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124944446
acetic acid;1-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 154910051
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone;dihydrochloride
CID 154907116
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125008288
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 77080783
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 91761714
2-methyl-4-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136822825
1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119236

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride (CID 154910718) is 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride is Cc1nonc1CC(=O)N1C[C@H]2CC[C@@H](C1)C2N.Cl.
What is the InChIKey of 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride?
The InChIKey is IVTSXAZFMBWZHZ-JPZCCUCESA-N. The full InChI is InChI=1S/C12H18N4O2.ClH/c1-7-10(15-18-14-7)4-11(17)16-5-8-2-3-9(6-16)12(8)13;/h8-9,12H,2-6,13H2,1H3;1H/t8-,9+,12?;.
What are the key properties of 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride?
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 154910718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).