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

C11H12FN3O — CID 43152229

IUPAC2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O/c12-9-3-1-8(2-4-9)7-10-14-11(5-6-13)16-15-10/h1-4H,5-7,13H2
InChIKeyJHFLKSPHXJXJJL-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.30
Rot. Bonds4

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

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 43152229) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID43152229
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
SMILESNCCc1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C11H12FN3O/c12-9-3-1-8(2-4-9)7-10-14-11(5-6-13)16-15-10/h1-4H,5-7,13H2
InChIKeyJHFLKSPHXJXJJL-UHFFFAOYSA-N
XLogP1.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine (CID 43152229) is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is NCCc1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is JHFLKSPHXJXJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-3-1-8(2-4-9)7-10-14-11(5-6-13)16-15-10/h1-4H,5-7,13H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine?
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 221.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 43152229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).