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

C14H9F3N4O — CID 2745749

IUPAC4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-7-12(22-21-11)10-4-5-19-13(18)20-10/h1-7H,(H2,18,19,20)
InChIKeyBFSRVFMHEKYHRC-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.40
Rot. Bonds2

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

4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine (PubChem CID 2745749) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine
PubChem CID2745749
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-7-12(22-21-11)10-4-5-19-13(18)20-10/h1-7H,(H2,18,19,20)
InChIKeyBFSRVFMHEKYHRC-UHFFFAOYSA-N
XLogP3.40
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine (CID 2745749) is 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine is Nc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1.
What is the InChIKey of 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine?
The InChIKey is BFSRVFMHEKYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-7-12(22-21-11)10-4-5-19-13(18)20-10/h1-7H,(H2,18,19,20).
What are the key properties of 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine?
4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine has a molecular weight of 306.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 2745749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).