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

C16H13FN2O3 — CID 129316316

IUPAC3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(Oc2ccc3c(C4CC4)noc3n2)c(F)c1
InChIInChI=1S/C16H13FN2O3/c1-20-10-4-6-13(12(17)8-10)21-14-7-5-11-15(9-2-3-9)19-22-16(11)18-14/h4-9H,2-3H2,1H3
InChIKeyOARZZERYKAFTSR-UHFFFAOYSA-N
MW300.29 g/mol
LogP4.04
Rot. Bonds4

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

3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316316) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316316
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(Oc2ccc3c(C4CC4)noc3n2)c(F)c1
InChIInChI=1S/C16H13FN2O3/c1-20-10-4-6-13(12(17)8-10)21-14-7-5-11-15(9-2-3-9)19-22-16(11)18-14/h4-9H,2-3H2,1H3
InChIKeyOARZZERYKAFTSR-UHFFFAOYSA-N
XLogP4.04
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine (CID 129316316) is 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine is COc1ccc(Oc2ccc3c(C4CC4)noc3n2)c(F)c1.
What is the InChIKey of 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is OARZZERYKAFTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c1-20-10-4-6-13(12(17)8-10)21-14-7-5-11-15(9-2-3-9)19-22-16(11)18-14/h4-9H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 300.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2-fluoro-4-methoxyphenoxy)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).