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

C9H5F3N2O — CID 151488066

IUPAC2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESFC(F)(F)c1ncccc1-c1ncco1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-6(2-1-3-13-7)8-14-4-5-15-8/h1-5H
InChIKeyPNWOHNHEJNMKBM-UHFFFAOYSA-N
MW214.15 g/mol
LogP2.76
Rot. Bonds1

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

2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (PubChem CID 151488066) has the molecular formula C9H5F3N2O and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
PubChem CID151488066
Molecular FormulaC9H5F3N2O
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESFC(F)(F)c1ncccc1-c1ncco1
InChIInChI=1S/C9H5F3N2O/c10-9(11,12)7-6(2-1-3-13-7)8-14-4-5-15-8/h1-5H
InChIKeyPNWOHNHEJNMKBM-UHFFFAOYSA-N
XLogP2.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (CID 151488066) is 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is FC(F)(F)c1ncccc1-c1ncco1.
What is the InChIKey of 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The InChIKey is PNWOHNHEJNMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O/c10-9(11,12)7-6(2-1-3-13-7)8-14-4-5-15-8/h1-5H.
What are the key properties of 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole has a molecular weight of 214.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 151488066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).