2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole

C16H11F3N2O — CID 143910178

IUPAC2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(-c3ccncc3)co2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c1-10-2-3-12(8-13(10)16(17,18)19)15-21-14(9-22-15)11-4-6-20-7-5-11/h2-9H,1H3
InChIKeyXIAPTDYVHCQLLA-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.73
Rot. Bonds2

About 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole

2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole (PubChem CID 143910178) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole
PubChem CID143910178
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(-c3ccncc3)co2)cc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O/c1-10-2-3-12(8-13(10)16(17,18)19)15-21-14(9-22-15)11-4-6-20-7-5-11/h2-9H,1H3
InChIKeyXIAPTDYVHCQLLA-UHFFFAOYSA-N
XLogP4.73
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole (CID 143910178) is 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole is Cc1ccc(-c2nc(-c3ccncc3)co2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole?
The InChIKey is XIAPTDYVHCQLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-10-2-3-12(8-13(10)16(17,18)19)15-21-14(9-22-15)11-4-6-20-7-5-11/h2-9H,1H3.
What are the key properties of 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole?
2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole has a molecular weight of 304.27 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 143910178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).