7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one

C11H5F3N2O2 — CID 146019786

IUPAC7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one
SMILESO=c1[nH]oc2c1cnc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H5F3N2O2/c12-11(13,14)5-1-2-6-8(3-5)15-4-7-9(6)18-16-10(7)17/h1-4H,(H,16,17)
InChIKeyFKMLXUNGWMYFKM-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.69
Rot. Bonds

About 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one

7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one (PubChem CID 146019786) has the molecular formula C11H5F3N2O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one
PubChem CID146019786
Molecular FormulaC11H5F3N2O2
Molecular Weight254.17 g/mol
Exact Mass254.03
IUPAC Name7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one
SMILESO=c1[nH]oc2c1cnc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H5F3N2O2/c12-11(13,14)5-1-2-6-8(3-5)15-4-7-9(6)18-16-10(7)17/h1-4H,(H,16,17)
InChIKeyFKMLXUNGWMYFKM-UHFFFAOYSA-N
XLogP2.69
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one?
The IUPAC name of 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one (CID 146019786) is 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one.
What is the SMILES notation for 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one?
The canonical SMILES for 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one is O=c1[nH]oc2c1cnc1cc(C(F)(F)F)ccc12.
What is the InChIKey of 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one?
The InChIKey is FKMLXUNGWMYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2O2/c12-11(13,14)5-1-2-6-8(3-5)15-4-7-9(6)18-16-10(7)17/h1-4H,(H,16,17).
What are the key properties of 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one?
7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one has a molecular weight of 254.17 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one is sourced from PubChem (CID 146019786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).