5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole

C12H12FN3O — CID 79316233

IUPAC5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(C3CNC3)n2)cc1
InChIInChI=1S/C12H12FN3O/c13-10-3-1-8(2-4-10)5-11-15-12(17-16-11)9-6-14-7-9/h1-4,9,14H,5-7H2
InChIKeyMNTWDMJEDRMEQI-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.49
Rot. Bonds3

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

5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 79316233) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID79316233
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(C3CNC3)n2)cc1
InChIInChI=1S/C12H12FN3O/c13-10-3-1-8(2-4-10)5-11-15-12(17-16-11)9-6-14-7-9/h1-4,9,14H,5-7H2
InChIKeyMNTWDMJEDRMEQI-UHFFFAOYSA-N
XLogP1.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 79316233) is 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1ccc(Cc2noc(C3CNC3)n2)cc1.
What is the InChIKey of 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is MNTWDMJEDRMEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-3-1-8(2-4-10)5-11-15-12(17-16-11)9-6-14-7-9/h1-4,9,14H,5-7H2.
What are the key properties of 5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 233.25 g/mol, XLogP of 1.49, 3 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-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 79316233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).