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

C15H10F3N3O2 — CID 129316311

IUPAC3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3c(C4CC4)noc3n2)cn1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-5-3-9(7-19-11)22-12-6-4-10-13(8-1-2-8)21-23-14(10)20-12/h3-8H,1-2H2
InChIKeyUKMNUHHIEBVMOF-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.31
Rot. Bonds3

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

3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316311) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316311
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(Oc2ccc3c(C4CC4)noc3n2)cn1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-5-3-9(7-19-11)22-12-6-4-10-13(8-1-2-8)21-23-14(10)20-12/h3-8H,1-2H2
InChIKeyUKMNUHHIEBVMOF-UHFFFAOYSA-N
XLogP4.31
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine (CID 129316311) is 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine is FC(F)(F)c1ccc(Oc2ccc3c(C4CC4)noc3n2)cn1.
What is the InChIKey of 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is UKMNUHHIEBVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)11-5-3-9(7-19-11)22-12-6-4-10-13(8-1-2-8)21-23-14(10)20-12/h3-8H,1-2H2.
What are the key properties of 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 321.26 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).