1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone

Name: 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₉F₃N₂O₂ — CID 142995246

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone

SMILESCCc1cc(C(F)(F)F)c2oc(C(C)=O)nc2n1

InChIInChI=1S/C11H9F3N2O2/c1-3-6-4-7(11(12,13)14)8-9(15-6)16-10(18-8)5(2)17/h4H,3H2,1-2H3

InChIKeyTZZWYNAKUGPPFK-UHFFFAOYSA-N

MW258.20 g/mol

LogP3.01

Rot. Bonds2

About 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone

1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone (PubChem CID 142995246) has the molecular formula C₁₁H₉F₃N₂O₂ and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name	1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone
PubChem CID	142995246
Molecular Formula	C₁₁H₉F₃N₂O₂
Molecular Weight	258.20 g/mol
Exact Mass	258.06
IUPAC Name	1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone
SMILES	CCc1cc(C(F)(F)F)c2oc(C(C)=O)nc2n1
InChI	InChI=1S/C11H9F3N2O2/c1-3-6-4-7(11(12,13)14)8-9(15-6)16-10(18-8)5(2)17/h4H,3H2,1-2H3
InChIKey	TZZWYNAKUGPPFK-UHFFFAOYSA-N
XLogP	3.01
TPSA	55.99 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	258.20
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone?

The IUPAC name of 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone (CID 142995246) is 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone.

What is the SMILES notation for 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone?

The canonical SMILES for 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone is CCc1cc(C(F)(F)F)c2oc(C(C)=O)nc2n1.

What is the InChIKey of 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone?

The InChIKey is TZZWYNAKUGPPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-3-6-4-7(11(12,13)14)8-9(15-6)16-10(18-8)5(2)17/h4H,3H2,1-2H3.

What are the key properties of 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone?

1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone has a molecular weight of 258.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-ethyl-7-(trifluoromethyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 142995246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142995246 — identifiers, structure, computed properties (public domain)

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