3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole

C9H6ClFN2O — CID 22433605

IUPAC3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2ncon2)c(Cl)c1
InChIInChI=1S/C9H6ClFN2O/c10-8-4-7(11)2-1-6(8)3-9-12-5-14-13-9/h1-2,4-5H,3H2
InChIKeyUVYQOCHJSBSGKA-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.45
Rot. Bonds2

About 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole

3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 22433605) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID22433605
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2ncon2)c(Cl)c1
InChIInChI=1S/C9H6ClFN2O/c10-8-4-7(11)2-1-6(8)3-9-12-5-14-13-9/h1-2,4-5H,3H2
InChIKeyUVYQOCHJSBSGKA-UHFFFAOYSA-N
XLogP2.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 22433605) is 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1ccc(Cc2ncon2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is UVYQOCHJSBSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-8-4-7(11)2-1-6(8)3-9-12-5-14-13-9/h1-2,4-5H,3H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole?
3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 212.61 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 22433605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).