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

C13H11FN4O — CID 53015258

IUPAC5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1noc(-c2ccccc2F)n1
InChIInChI=1S/C13H11FN4O/c1-9-15-6-7-18(9)8-12-16-13(19-17-12)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3
InChIKeyVTKJZHUCXKRXHZ-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.43
Rot. Bonds3

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

5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 53015258) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID53015258
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nccn1Cc1noc(-c2ccccc2F)n1
InChIInChI=1S/C13H11FN4O/c1-9-15-6-7-18(9)8-12-16-13(19-17-12)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3
InChIKeyVTKJZHUCXKRXHZ-UHFFFAOYSA-N
XLogP2.43
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 53015258) is 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is Cc1nccn1Cc1noc(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is VTKJZHUCXKRXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-9-15-6-7-18(9)8-12-16-13(19-17-12)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 258.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53015258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).