3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride

C9H14ClN3O2 — CID 131043141

IUPAC3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESC1CO[C@@H](c2nc(C3CNC3)no2)C1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-7(13-3-1)9-11-8(12-14-9)6-4-10-5-6;/h6-7,10H,1-5H2;1H/t7-;/m1./s1
InChIKeyAIMOAYBIINGJEB-OGFXRTJISA-N
MW231.68 g/mol
LogP1.03
Rot. Bonds2

About 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride

3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 131043141) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID131043141
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESC1CO[C@@H](c2nc(C3CNC3)no2)C1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-7(13-3-1)9-11-8(12-14-9)6-4-10-5-6;/h6-7,10H,1-5H2;1H/t7-;/m1./s1
InChIKeyAIMOAYBIINGJEB-OGFXRTJISA-N
XLogP1.03
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(oxan-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014845
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65328340
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893816
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 131043141) is 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride is C1CO[C@@H](c2nc(C3CNC3)no2)C1.Cl.
What is the InChIKey of 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is AIMOAYBIINGJEB-OGFXRTJISA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-2-7(13-3-1)9-11-8(12-14-9)6-4-10-5-6;/h6-7,10H,1-5H2;1H/t7-;/m1./s1.
What are the key properties of 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride?
3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 131043141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).