4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole

C17H15F3N2O2 — CID 18921398

IUPAC4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(Oc3cccc(C(F)(F)F)c3)n2)=N1
InChIInChI=1S/C17H15F3N2O2/c1-16(2)10-23-15(22-16)13-7-4-8-14(21-13)24-12-6-3-5-11(9-12)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeySZPQLXGZIVNVSU-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.45
Rot. Bonds3

About 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole

4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole (PubChem CID 18921398) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole
PubChem CID18921398
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(Oc3cccc(C(F)(F)F)c3)n2)=N1
InChIInChI=1S/C17H15F3N2O2/c1-16(2)10-23-15(22-16)13-7-4-8-14(21-13)24-12-6-3-5-11(9-12)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeySZPQLXGZIVNVSU-UHFFFAOYSA-N
XLogP4.45
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole (CID 18921398) is 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole is CC1(C)COC(c2cccc(Oc3cccc(C(F)(F)F)c3)n2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole?
The InChIKey is SZPQLXGZIVNVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-16(2)10-23-15(22-16)13-7-4-8-14(21-13)24-12-6-3-5-11(9-12)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole has a molecular weight of 336.31 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-5H-1,3-oxazole is sourced from PubChem (CID 18921398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).