5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine

C11H11FN2O — CID 117294550

IUPAC5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(CCF)cc2)on1
InChIInChI=1S/C11H11FN2O/c12-6-5-8-1-3-9(4-2-8)10-7-11(13)14-15-10/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyFLCJXQYKDQBQKC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.44
Rot. Bonds3

About 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine

5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117294550) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117294550
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(CCF)cc2)on1
InChIInChI=1S/C11H11FN2O/c12-6-5-8-1-3-9(4-2-8)10-7-11(13)14-15-10/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyFLCJXQYKDQBQKC-UHFFFAOYSA-N
XLogP2.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-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 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine (CID 117294550) is 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(CCF)cc2)on1.
What is the InChIKey of 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is FLCJXQYKDQBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-6-5-8-1-3-9(4-2-8)10-7-11(13)14-15-10/h1-4,7H,5-6H2,(H2,13,14).
What are the key properties of 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine?
5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluoroethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117294550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).