2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine

C10H7F3N2O2 — CID 117188911

IUPAC2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine
SMILESNc1coc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-1-3-7(4-2-6)17-9-15-8(14)5-16-9/h1-5H,14H2
InChIKeyDKKZOBKWGGBGGL-UHFFFAOYSA-N
MW244.17 g/mol
LogP3.07
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine

2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine (PubChem CID 117188911) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine
PubChem CID117188911
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine
SMILESNc1coc(Oc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)6-1-3-7(4-2-6)17-9-15-8(14)5-16-9/h1-5H,14H2
InChIKeyDKKZOBKWGGBGGL-UHFFFAOYSA-N
XLogP3.07
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
2-(trifluoromethyl)-1,3-oxazol-4-amine
CID 156595636
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 58319177
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
3-amino-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 103469607
[2-methylsulfanyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910588
4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 79917598
5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine
CID 166073907
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233520

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine (CID 117188911) is 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine is Nc1coc(Oc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine?
The InChIKey is DKKZOBKWGGBGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)6-1-3-7(4-2-6)17-9-15-8(14)5-16-9/h1-5H,14H2.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine?
2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine has a molecular weight of 244.17 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine is sourced from PubChem (CID 117188911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).