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

C11H10F2N2O — CID 90392873

IUPAC2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cc2ccc(F)cc2F)o1
InChIInChI=1S/C11H10F2N2O/c1-2-10-14-15-11(16-10)5-7-3-4-8(12)6-9(7)13/h3-4,6H,2,5H2,1H3
InChIKeyXDBHABDGMKQUNY-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.50
Rot. Bonds3

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

2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 90392873) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID90392873
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(Cc2ccc(F)cc2F)o1
InChIInChI=1S/C11H10F2N2O/c1-2-10-14-15-11(16-10)5-7-3-4-8(12)6-9(7)13/h3-4,6H,2,5H2,1H3
InChIKeyXDBHABDGMKQUNY-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole (CID 90392873) is 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(Cc2ccc(F)cc2F)o1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is XDBHABDGMKQUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-10-14-15-11(16-10)5-7-3-4-8(12)6-9(7)13/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole?
2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 224.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 90392873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).