5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine

C17H15FN2O — CID 54527143

IUPAC5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)no1
InChIInChI=1S/C17H15FN2O/c1-11(16-10-17(19)20-21-16)13-7-8-14(15(18)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20)
InChIKeyYTXQFUCPUAGLEZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.21
Rot. Bonds3

About 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine

5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine (PubChem CID 54527143) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine
PubChem CID54527143
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)no1
InChIInChI=1S/C17H15FN2O/c1-11(16-10-17(19)20-21-16)13-7-8-14(15(18)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20)
InChIKeyYTXQFUCPUAGLEZ-UHFFFAOYSA-N
XLogP4.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-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-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine (CID 54527143) is 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)no1.
What is the InChIKey of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine?
The InChIKey is YTXQFUCPUAGLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11(16-10-17(19)20-21-16)13-7-8-14(15(18)9-13)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20).
What are the key properties of 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine?
5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine has a molecular weight of 282.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 54527143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).