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

C11H10ClFN2O — CID 90392959

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C11H10ClFN2O/c1-2-9-14-15-10(16-9)6-7-4-3-5-8(12)11(7)13/h3-5H,2,6H2,1H3
InChIKeyNJEAFGROEUEIQX-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.02
Rot. Bonds3

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

2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 90392959) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID90392959
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cc2cccc(Cl)c2F)o1
InChIInChI=1S/C11H10ClFN2O/c1-2-9-14-15-10(16-9)6-7-4-3-5-8(12)11(7)13/h3-5H,2,6H2,1H3
InChIKeyNJEAFGROEUEIQX-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 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole (CID 90392959) is 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(Cc2cccc(Cl)c2F)o1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is NJEAFGROEUEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-2-9-14-15-10(16-9)6-7-4-3-5-8(12)11(7)13/h3-5H,2,6H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-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 2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 90392959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).