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

C11H11F2N3O — CID 62660245

IUPAC1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2cccc(F)c2F)n1
InChIInChI=1S/C11H11F2N3O/c1-6(14)5-9-15-11(17-16-9)7-3-2-4-8(12)10(7)13/h2-4,6H,5,14H2,1H3
InChIKeyVKFZFDBZLHKKPK-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.90
Rot. Bonds3

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

1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 62660245) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID62660245
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2cccc(F)c2F)n1
InChIInChI=1S/C11H11F2N3O/c1-6(14)5-9-15-11(17-16-9)7-3-2-4-8(12)10(7)13/h2-4,6H,5,14H2,1H3
InChIKeyVKFZFDBZLHKKPK-UHFFFAOYSA-N
XLogP1.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine 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-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 62660245) is 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(-c2cccc(F)c2F)n1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is VKFZFDBZLHKKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6(14)5-9-15-11(17-16-9)7-3-2-4-8(12)10(7)13/h2-4,6H,5,14H2,1H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 239.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 62660245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).