2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C9H7F3N2O — CID 142590989

IUPAC2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2=NCCO2)nc1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-1-2-7(14-5-6)8-13-3-4-15-8/h1-2,5H,3-4H2
InChIKeyXHSGOVXUQVEADH-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.88
Rot. Bonds1

About 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 142590989) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID142590989
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2=NCCO2)nc1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)6-1-2-7(14-5-6)8-13-3-4-15-8/h1-2,5H,3-4H2
InChIKeyXHSGOVXUQVEADH-UHFFFAOYSA-N
XLogP1.88
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 142590989) is 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc(C2=NCCO2)nc1.
What is the InChIKey of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XHSGOVXUQVEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)6-1-2-7(14-5-6)8-13-3-4-15-8/h1-2,5H,3-4H2.
What are the key properties of 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 216.16 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142590989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).