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

C10H6F4N2O — CID 117367114

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F4N2O/c11-8-2-1-5(3-7(8)10(12,13)14)6-4-16-17-9(6)15/h1-4H,15H2
InChIKeyXPVPUYVDFJOJAV-UHFFFAOYSA-N
MW246.16 g/mol
LogP3.08
Rot. Bonds1

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

4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117367114) has the molecular formula C10H6F4N2O and a molecular weight of 246.16 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117367114
Molecular FormulaC10H6F4N2O
Molecular Weight246.16 g/mol
Exact Mass246.04
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H6F4N2O/c11-8-2-1-5(3-7(8)10(12,13)14)6-4-16-17-9(6)15/h1-4H,15H2
InChIKeyXPVPUYVDFJOJAV-UHFFFAOYSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine (CID 117367114) is 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is XPVPUYVDFJOJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O/c11-8-2-1-5(3-7(8)10(12,13)14)6-4-16-17-9(6)15/h1-4H,15H2.
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine?
4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 246.16 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117367114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).