5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole

C10H15N3O — CID 14742580

IUPAC5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2C[C@H]3CC[C@@H]2NC3)n1
InChIInChI=1S/C10H15N3O/c1-6-12-10(14-13-6)8-4-7-2-3-9(8)11-5-7/h7-9,11H,2-5H2,1H3/t7-,8-,9+/m1/s1
InChIKeyBINAUEIHODVIRS-HLTSFMKQSA-N
MW193.25 g/mol
LogP1.23
Rot. Bonds1

About 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole

5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 14742580) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID14742580
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2C[C@H]3CC[C@@H]2NC3)n1
InChIInChI=1S/C10H15N3O/c1-6-12-10(14-13-6)8-4-7-2-3-9(8)11-5-7/h7-9,11H,2-5H2,1H3/t7-,8-,9+/m1/s1
InChIKeyBINAUEIHODVIRS-HLTSFMKQSA-N
XLogP1.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 128744637
5-[(1R,6S)-2-azabicyclo[2.2.2]octan-6-yl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 57069743
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
3-methyl-5-(2-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 130763039
5-[(2R,4R)-4-methoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 86775507
[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
CID 171149986
3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 58487567
3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 166606249
5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole
CID 126992893
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]octan-6-yl)-1,2,4-oxadiazole
CID 58097298
5-[(2R,4S)-4-ethoxypyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 130608452

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole (CID 14742580) is 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@@H]2C[C@H]3CC[C@@H]2NC3)n1.
What is the InChIKey of 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is BINAUEIHODVIRS-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-12-10(14-13-6)8-4-7-2-3-9(8)11-5-7/h7-9,11H,2-5H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole?
5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 193.25 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 14742580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).