5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine

C14H9FN4O — CID 58362378

IUPAC5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1
InChIInChI=1S/C14H9FN4O/c1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14/h2,4-6,8H,1H3,(H,16,17)
InChIKeyRRTBIBYHIAWBHY-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.20
Rot. Bonds1

About 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine

5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine (PubChem CID 58362378) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine
PubChem CID58362378
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC Name5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1
InChIInChI=1S/C14H9FN4O/c1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14/h2,4-6,8H,1H3,(H,16,17)
InChIKeyRRTBIBYHIAWBHY-UHFFFAOYSA-N
XLogP2.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine (CID 58362378) is 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine is CNc1ccc(C#Cc2nc3nc(F)ccc3o2)cn1.
What is the InChIKey of 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
The InChIKey is RRTBIBYHIAWBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c1-16-12-6-2-9(8-17-12)3-7-13-19-14-10(20-13)4-5-11(15)18-14/h2,4-6,8H,1H3,(H,16,17).
What are the key properties of 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine?
5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine has a molecular weight of 268.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethynyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 58362378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).