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

C11H10ClFN2O — CID 58478076

IUPAC5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H10ClFN2O/c1-2-10-14-11(16-15-10)5-7-3-4-8(13)6-9(7)12/h3-4,6H,2,5H2,1H3
InChIKeyVKDZMNPNQOTKOQ-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.02
Rot. Bonds3

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

5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 58478076) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID58478076
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(Cc2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H10ClFN2O/c1-2-10-14-11(16-15-10)5-7-3-4-8(13)6-9(7)12/h3-4,6H,2,5H2,1H3
InChIKeyVKDZMNPNQOTKOQ-UHFFFAOYSA-N
XLogP3.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole (CID 58478076) is 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(Cc2ccc(F)cc2Cl)n1.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is VKDZMNPNQOTKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-2-10-14-11(16-15-10)5-7-3-4-8(13)6-9(7)12/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole?
5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 240.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 58478076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).