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

C11H11F2N3O — CID 55100160

IUPAC1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2cccc(F)c2F)n1
InChIInChI=1S/C11H11F2N3O/c1-2-8(14)10-15-11(17-16-10)6-4-3-5-7(12)9(6)13/h3-5,8H,2,14H2,1H3
InChIKeyIHISEOZMPHHFSE-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.42
Rot. Bonds3

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

1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 55100160) 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-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID55100160
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(-c2cccc(F)c2F)n1
InChIInChI=1S/C11H11F2N3O/c1-2-8(14)10-15-11(17-16-10)6-4-3-5-7(12)9(6)13/h3-5,8H,2,14H2,1H3
InChIKeyIHISEOZMPHHFSE-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62660245
1-[5-(3-chloro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107099594
1-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 107983725
1-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62509633
1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 64955720
1-[5-(4-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325627
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633198
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634810
1-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096104
1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325210
1-[4-(2,3-difluorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 114058402

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 55100160) is 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(-c2cccc(F)c2F)n1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is IHISEOZMPHHFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-2-8(14)10-15-11(17-16-10)6-4-3-5-7(12)9(6)13/h3-5,8H,2,14H2,1H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 239.23 g/mol, XLogP of 2.42, 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-1-amine is sourced from PubChem (CID 55100160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).