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

C9H6ClFN2O — CID 54593390

IUPAC5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(Cl)n2)cc1
InChIInChI=1S/C9H6ClFN2O/c10-9-12-8(13-14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKeySOSVJYSDQKQTHL-UHFFFAOYSA-N
MW212.61 g/mol
LogP2.45
Rot. Bonds2

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

5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 54593390) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID54593390
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cc2noc(Cl)n2)cc1
InChIInChI=1S/C9H6ClFN2O/c10-9-12-8(13-14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKeySOSVJYSDQKQTHL-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 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 54593390) is 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is Fc1ccc(Cc2noc(Cl)n2)cc1.
What is the InChIKey of 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is SOSVJYSDQKQTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-9-12-8(13-14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2.
What are the key properties of 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-chloro-3-[(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 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54593390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).