1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H9F2N3O — CID 61324177

IUPAC1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H9F2N3O/c1-5(13)9-14-10(16-15-9)7-3-2-6(11)4-8(7)12/h2-5H,13H2,1H3
InChIKeyQOQWCKLMBGUVLX-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.03
Rot. Bonds2

About 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61324177) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61324177
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H9F2N3O/c1-5(13)9-14-10(16-15-9)7-3-2-6(11)4-8(7)12/h2-5H,13H2,1H3
InChIKeyQOQWCKLMBGUVLX-UHFFFAOYSA-N
XLogP2.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine 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 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61324177) is 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is QOQWCKLMBGUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-5(13)9-14-10(16-15-9)7-3-2-6(11)4-8(7)12/h2-5H,13H2,1H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 225.20 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61324177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).