3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine

C16H11F3N2O2 — CID 129316319

IUPAC3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cccc(Oc2ccc3c(C4CC4)noc3n2)c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-2-1-3-11(8-10)22-13-7-6-12-14(9-4-5-9)21-23-15(12)20-13/h1-3,6-9H,4-5H2
InChIKeyZMDHIIYRASSYHP-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.91
Rot. Bonds3

About 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316319) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316319
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cccc(Oc2ccc3c(C4CC4)noc3n2)c1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)10-2-1-3-11(8-10)22-13-7-6-12-14(9-4-5-9)21-23-15(12)20-13/h1-3,6-9H,4-5H2
InChIKeyZMDHIIYRASSYHP-UHFFFAOYSA-N
XLogP4.91
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine (CID 129316319) is 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine is FC(F)(F)c1cccc(Oc2ccc3c(C4CC4)noc3n2)c1.
What is the InChIKey of 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is ZMDHIIYRASSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)10-2-1-3-11(8-10)22-13-7-6-12-14(9-4-5-9)21-23-15(12)20-13/h1-3,6-9H,4-5H2.
What are the key properties of 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 320.27 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[3-(trifluoromethyl)phenoxy]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).