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

C15H10F2N2O2 — CID 129316307

IUPAC3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1cc(F)cc(Oc2ccc3c(C4CC4)noc3n2)c1
InChIInChI=1S/C15H10F2N2O2/c16-9-5-10(17)7-11(6-9)20-13-4-3-12-14(8-1-2-8)19-21-15(12)18-13/h3-8H,1-2H2
InChIKeySSPHTZQQPXNFLO-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.17
Rot. Bonds3

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

3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316307) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316307
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1cc(F)cc(Oc2ccc3c(C4CC4)noc3n2)c1
InChIInChI=1S/C15H10F2N2O2/c16-9-5-10(17)7-11(6-9)20-13-4-3-12-14(8-1-2-8)19-21-15(12)18-13/h3-8H,1-2H2
InChIKeySSPHTZQQPXNFLO-UHFFFAOYSA-N
XLogP4.17
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine (CID 129316307) is 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine is Fc1cc(F)cc(Oc2ccc3c(C4CC4)noc3n2)c1.
What is the InChIKey of 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is SSPHTZQQPXNFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-9-5-10(17)7-11(6-9)20-13-4-3-12-14(8-1-2-8)19-21-15(12)18-13/h3-8H,1-2H2.
What are the key properties of 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 288.25 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(3,5-difluorophenoxy)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).