5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride

C10H12Cl2N4O — CID 71778820

IUPAC5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2noc(C3CNC3)n2)ccn1
InChIInChI=1S/C10H10N4O.2ClH/c1-3-11-4-2-7(1)9-13-10(15-14-9)8-5-12-6-8;;/h1-4,8,12H,5-6H2;2*1H
InChIKeyAHHVNJCBOSFLCF-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.66
Rot. Bonds2

About 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride

5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride (PubChem CID 71778820) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
PubChem CID71778820
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1cc(-c2noc(C3CNC3)n2)ccn1
InChIInChI=1S/C10H10N4O.2ClH/c1-3-11-4-2-7(1)9-13-10(15-14-9)8-5-12-6-8;;/h1-4,8,12H,5-6H2;2*1H
InChIKeyAHHVNJCBOSFLCF-UHFFFAOYSA-N
XLogP1.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol
CID 143066864
5-(1-cyclohexylazetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 128791883
3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 65263054
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 72716128
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 102894474
2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43093603
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride (CID 71778820) is 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride is Cl.Cl.c1cc(-c2noc(C3CNC3)n2)ccn1.
What is the InChIKey of 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is AHHVNJCBOSFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O.2ClH/c1-3-11-4-2-7(1)9-13-10(15-14-9)8-5-12-6-8;;/h1-4,8,12H,5-6H2;2*1H.
What are the key properties of 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride?
5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride has a molecular weight of 275.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 71778820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).