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

C17H15FN2O — CID 11219783

IUPAC3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyVKCFNPUWONHRSI-NSHDSACASA-N
MW282.32 g/mol
LogP4.21
Rot. Bonds3

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

3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine (PubChem CID 11219783) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
PubChem CID11219783
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyVKCFNPUWONHRSI-NSHDSACASA-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-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine (CID 11219783) is 3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine is C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1cc(N)on1.
What is the InChIKey of 3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
The InChIKey is VKCFNPUWONHRSI-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of 3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine?
3-[(1S)-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-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 11219783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).