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

C16H13FN2O2 — CID 129316321

IUPAC3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1cc(Oc2ccc3c(C4CC4)noc3n2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-9-8-11(4-6-13(9)17)20-14-7-5-12-15(10-2-3-10)19-21-16(12)18-14/h4-8,10H,2-3H2,1H3
InChIKeyMQBMHSHFAASFQO-UHFFFAOYSA-N
MW284.29 g/mol
LogP4.34
Rot. Bonds3

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

3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316321) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316321
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1cc(Oc2ccc3c(C4CC4)noc3n2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-9-8-11(4-6-13(9)17)20-14-7-5-12-15(10-2-3-10)19-21-16(12)18-14/h4-8,10H,2-3H2,1H3
InChIKeyMQBMHSHFAASFQO-UHFFFAOYSA-N
XLogP4.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine (CID 129316321) is 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine is Cc1cc(Oc2ccc3c(C4CC4)noc3n2)ccc1F.
What is the InChIKey of 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is MQBMHSHFAASFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-9-8-11(4-6-13(9)17)20-14-7-5-12-15(10-2-3-10)19-21-16(12)18-14/h4-8,10H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 284.29 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(4-fluoro-3-methylphenoxy)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).