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

C17H15FN2O — CID 15676028

IUPAC3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)on1
InChIInChI=1S/C17H15FN2O/c1-11(16-10-17(19)21-20-16)13-7-8-14(15(18)9-13)12-5-3-2-4-6-12/h2-11H,19H2,1H3
InChIKeyVKCFNPUWONHRSI-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.21
Rot. Bonds3

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

3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine (PubChem CID 15676028) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
PubChem CID15676028
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)on1
InChIInChI=1S/C17H15FN2O/c1-11(16-10-17(19)21-20-16)13-7-8-14(15(18)9-13)12-5-3-2-4-6-12/h2-11H,19H2,1H3
InChIKeyVKCFNPUWONHRSI-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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine (CID 15676028) is 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine is CC(c1ccc(-c2ccccc2)c(F)c1)c1cc(N)on1.
What is the InChIKey of 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is VKCFNPUWONHRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11(16-10-17(19)21-20-16)13-7-8-14(15(18)9-13)12-5-3-2-4-6-12/h2-11H,19H2,1H3.
What are the key properties of 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-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 3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 15676028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).