4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol

C12H9N3O2 — CID 936032

IUPAC4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
SMILESNc1ccc(O)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C12H9N3O2/c13-7-3-4-9(16)8(6-7)12-15-11-10(17-12)2-1-5-14-11/h1-6,16H,13H2
InChIKeyUKOOZFNJFQWFMK-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.18
Rot. Bonds1

About 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol

4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol (PubChem CID 936032) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol.

Molecular Properties

Compound Name4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
PubChem CID936032
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
SMILESNc1ccc(O)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C12H9N3O2/c13-7-3-4-9(16)8(6-7)12-15-11-10(17-12)2-1-5-14-11/h1-6,16H,13H2
InChIKeyUKOOZFNJFQWFMK-UHFFFAOYSA-N
XLogP2.18
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
The IUPAC name of 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol (CID 936032) is 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol.
What is the SMILES notation for 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
The canonical SMILES for 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol is Nc1ccc(O)c(-c2nc3ncccc3o2)c1.
What is the InChIKey of 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
The InChIKey is UKOOZFNJFQWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-7-3-4-9(16)8(6-7)12-15-11-10(17-12)2-1-5-14-11/h1-6,16H,13H2.
What are the key properties of 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol has a molecular weight of 227.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol is sourced from PubChem (CID 936032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).