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

C8H12ClN3O — CID 71778975

IUPAC5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC1c1noc(C2CNC2)n1.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-2-5(1)7-10-8(12-11-7)6-3-9-4-6;/h5-6,9H,1-4H2;1H
InChIKeyAOWFJAAEDNNKGM-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.06
Rot. Bonds2

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

5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride (PubChem CID 71778975) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
PubChem CID71778975
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
SMILESC1CC1c1noc(C2CNC2)n1.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-2-5(1)7-10-8(12-11-7)6-3-9-4-6;/h5-6,9H,1-4H2;1H
InChIKeyAOWFJAAEDNNKGM-UHFFFAOYSA-N
XLogP1.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3-cyclopropyl-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63721270
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 112680499
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 131043141
5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
CID 79316096
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride (CID 71778975) is 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride is C1CC1c1noc(C2CNC2)n1.Cl.
What is the InChIKey of 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is AOWFJAAEDNNKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c1-2-5(1)7-10-8(12-11-7)6-3-9-4-6;/h5-6,9H,1-4H2;1H.
What are the key properties of 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride?
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 71778975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).