1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone

C8H4F3N3O2 — CID 82390761

IUPAC1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1onc2cnc(C(F)(F)F)nc12
InChIInChI=1S/C8H4F3N3O2/c1-3(15)6-5-4(14-16-6)2-12-7(13-5)8(9,10)11/h2H,1H3
InChIKeyVHRIAFONTUUTPV-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.84
Rot. Bonds1

About 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone

1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone (PubChem CID 82390761) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone
PubChem CID82390761
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1onc2cnc(C(F)(F)F)nc12
InChIInChI=1S/C8H4F3N3O2/c1-3(15)6-5-4(14-16-6)2-12-7(13-5)8(9,10)11/h2H,1H3
InChIKeyVHRIAFONTUUTPV-UHFFFAOYSA-N
XLogP1.84
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone (CID 82390761) is 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone is CC(=O)c1onc2cnc(C(F)(F)F)nc12.
What is the InChIKey of 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone?
The InChIKey is VHRIAFONTUUTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c1-3(15)6-5-4(14-16-6)2-12-7(13-5)8(9,10)11/h2H,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone?
1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone has a molecular weight of 231.13 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 82390761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).