5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride

C10H14ClN3O — CID 21476657

IUPAC5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2=CCC3CNC2C3)n1.Cl
InChIInChI=1S/C10H13N3O.ClH/c1-6-12-10(14-13-6)8-3-2-7-4-9(8)11-5-7;/h3,7,9,11H,2,4-5H2,1H3;1H
InChIKeyIMJSICXUDFNOQN-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.57
Rot. Bonds1

About 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride

5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 21476657) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
PubChem CID21476657
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2=CCC3CNC2C3)n1.Cl
InChIInChI=1S/C10H13N3O.ClH/c1-6-12-10(14-13-6)8-3-2-7-4-9(8)11-5-7;/h3,7,9,11H,2,4-5H2,1H3;1H
InChIKeyIMJSICXUDFNOQN-UHFFFAOYSA-N
XLogP1.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

4-(6-chloro-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene
CID 57486329
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
CID 14742580
5-[(2R,4S)-4-ethoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 130608452
5-(3-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-3-methyl-1,2,4-oxadiazole
CID 14898790
3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 131159756
3-methyl-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 52903741
3-methyl-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833998
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
5-(5-chlorocyclohexa-1,5-dien-1-yl)-3-methyl-1,2,4-oxadiazole
CID 143054135
3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride (CID 21476657) is 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride is Cc1noc(C2=CCC3CNC2C3)n1.Cl.
What is the InChIKey of 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IMJSICXUDFNOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.ClH/c1-6-12-10(14-13-6)8-3-2-7-4-9(8)11-5-7;/h3,7,9,11H,2,4-5H2,1H3;1H.
What are the key properties of 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride?
5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azabicyclo[3.2.1]oct-3-en-4-yl)-3-methyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 21476657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).