5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride

C13H15ClFN3O2 — CID 120893907

IUPAC5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(Cc2noc(COC3CNC3)n2)c1
InChIInChI=1S/C13H14FN3O2.ClH/c14-10-3-1-2-9(4-10)5-12-16-13(19-17-12)8-18-11-6-15-7-11;/h1-4,11,15H,5-8H2;1H
InChIKeyWCEQXGJVNCCLQO-UHFFFAOYSA-N
MW299.73 g/mol
LogP1.71
Rot. Bonds5

About 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride

5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120893907) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120893907
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1cccc(Cc2noc(COC3CNC3)n2)c1
InChIInChI=1S/C13H14FN3O2.ClH/c14-10-3-1-2-9(4-10)5-12-16-13(19-17-12)8-18-11-6-15-7-11;/h1-4,11,15H,5-8H2;1H
InChIKeyWCEQXGJVNCCLQO-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride (CID 120893907) is 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride is Cl.Fc1cccc(Cc2noc(COC3CNC3)n2)c1.
What is the InChIKey of 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WCEQXGJVNCCLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2.ClH/c14-10-3-1-2-9(4-10)5-12-16-13(19-17-12)8-18-11-6-15-7-11;/h1-4,11,15H,5-8H2;1H.
What are the key properties of 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride?
5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 299.73 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120893907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).