3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine

C17H11FN4O2 — CID 129316296

IUPAC3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1ccc(-c2noc3nc(OCc4ncccn4)ccc23)cc1
InChIInChI=1S/C17H11FN4O2/c18-12-4-2-11(3-5-12)16-13-6-7-15(21-17(13)24-22-16)23-10-14-19-8-1-9-20-14/h1-9H,10H2
InChIKeyPBFDLKIGGZLRLJ-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.40
Rot. Bonds4

About 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine

3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316296) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316296
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1ccc(-c2noc3nc(OCc4ncccn4)ccc23)cc1
InChIInChI=1S/C17H11FN4O2/c18-12-4-2-11(3-5-12)16-13-6-7-15(21-17(13)24-22-16)23-10-14-19-8-1-9-20-14/h1-9H,10H2
InChIKeyPBFDLKIGGZLRLJ-UHFFFAOYSA-N
XLogP3.40
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine (CID 129316296) is 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine is Fc1ccc(-c2noc3nc(OCc4ncccn4)ccc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is PBFDLKIGGZLRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c18-12-4-2-11(3-5-12)16-13-6-7-15(21-17(13)24-22-16)23-10-14-19-8-1-9-20-14/h1-9H,10H2.
What are the key properties of 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 322.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(pyrimidin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).