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

C11H10F2N2O — CID 117321347

IUPAC5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
SMILESCC(F)(F)c1ccccc1-c1cc(N)no1
InChIInChI=1S/C11H10F2N2O/c1-11(12,13)8-5-3-2-4-7(8)9-6-10(14)15-16-9/h2-6H,1H3,(H2,14,15)
InChIKeyYNJXLZUBWIVGLZ-UHFFFAOYSA-N
MW224.21 g/mol
LogP3.04
Rot. Bonds2

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

5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117321347) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117321347
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine
SMILESCC(F)(F)c1ccccc1-c1cc(N)no1
InChIInChI=1S/C11H10F2N2O/c1-11(12,13)8-5-3-2-4-7(8)9-6-10(14)15-16-9/h2-6H,1H3,(H2,14,15)
InChIKeyYNJXLZUBWIVGLZ-UHFFFAOYSA-N
XLogP3.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine (CID 117321347) is 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine is CC(F)(F)c1ccccc1-c1cc(N)no1.
What is the InChIKey of 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is YNJXLZUBWIVGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-11(12,13)8-5-3-2-4-7(8)9-6-10(14)15-16-9/h2-6H,1H3,(H2,14,15).
What are the key properties of 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine?
5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 224.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,1-difluoroethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117321347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).