4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine

C16H11F3N2O2 — CID 11359105

IUPAC4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine
SMILESNc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-22-15(20)21-13/h1-9H,(H2,20,21)
InChIKeyGRBLKHFYGINQDR-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.49
Rot. Bonds3

About 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine

4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine (PubChem CID 11359105) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine
PubChem CID11359105
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine
SMILESNc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)23-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-22-15(20)21-13/h1-9H,(H2,20,21)
InChIKeyGRBLKHFYGINQDR-UHFFFAOYSA-N
XLogP4.49
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine?
The IUPAC name of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine (CID 11359105) is 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine is Nc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)co1.
What is the InChIKey of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine?
The InChIKey is GRBLKHFYGINQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)23-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-22-15(20)21-13/h1-9H,(H2,20,21).
What are the key properties of 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine?
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine has a molecular weight of 320.27 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 11359105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).