3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride

C9H16ClN3O — CID 130652504

IUPAC3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)(C)c1nc(C2CNC2)no1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-9(2,3)8-11-7(12-13-8)6-4-10-5-6;/h6,10H,4-5H2,1-3H3;1H
InChIKeyFOLHJFDVFUSVNQ-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.48
Rot. Bonds1

About 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride

3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 130652504) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride
PubChem CID130652504
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)(C)c1nc(C2CNC2)no1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-9(2,3)8-11-7(12-13-8)6-4-10-5-6;/h6,10H,4-5H2,1-3H3;1H
InChIKeyFOLHJFDVFUSVNQ-UHFFFAOYSA-N
XLogP1.48
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
3-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-tert-butyl-1,2,4-oxadiazole;hydrochloride
CID 120663891
3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 84681088
3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 55181625
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 131043141
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
CID 116893271
2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65425779
3-piperidin-4-yl-5-(1,1,2,2-tetrafluoroethyl)-1,2,4-oxadiazole
CID 79660117

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride (CID 130652504) is 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride is CC(C)(C)c1nc(C2CNC2)no1.Cl.
What is the InChIKey of 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is FOLHJFDVFUSVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-9(2,3)8-11-7(12-13-8)6-4-10-5-6;/h6,10H,4-5H2,1-3H3;1H.
What are the key properties of 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride?
3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-tert-butyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 130652504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).