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

C11H11FN2O — CID 114420287

IUPAC1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(N)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H11FN2O/c1-7(13)11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-7H,13H2,1H3
InChIKeyHENUIYTVDRVWJX-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.50
Rot. Bonds2

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

1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 114420287) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID114420287
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(N)c1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C11H11FN2O/c1-7(13)11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-7H,13H2,1H3
InChIKeyHENUIYTVDRVWJX-UHFFFAOYSA-N
XLogP2.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-fluorophenyl)-1,2-oxazol-5-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-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine (CID 114420287) is 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine is CC(N)c1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is HENUIYTVDRVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7(13)11-6-10(14-15-11)8-2-4-9(12)5-3-8/h2-7H,13H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine?
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 206.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 114420287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).