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

C12H9N3O2 — CID 938537

IUPAC5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
SMILESNc1ccc(-c2nc3ncccc3o2)c(O)c1
InChIInChI=1S/C12H9N3O2/c13-7-3-4-8(9(16)6-7)12-15-11-10(17-12)2-1-5-14-11/h1-6,16H,13H2
InChIKeyNZHMMNKFGWXTQH-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.18
Rot. Bonds1

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

5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol (PubChem CID 938537) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol.

Molecular Properties

Compound Name5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
PubChem CID938537
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
SMILESNc1ccc(-c2nc3ncccc3o2)c(O)c1
InChIInChI=1S/C12H9N3O2/c13-7-3-4-8(9(16)6-7)12-15-11-10(17-12)2-1-5-14-11/h1-6,16H,13H2
InChIKeyNZHMMNKFGWXTQH-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'}

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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338
4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1385138
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 876172
2,6-dimethoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 1291350
2-fluoro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1490582

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
The IUPAC name of 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol (CID 938537) is 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol.
What is the SMILES notation for 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
The canonical SMILES for 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol is Nc1ccc(-c2nc3ncccc3o2)c(O)c1.
What is the InChIKey of 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
The InChIKey is NZHMMNKFGWXTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-7-3-4-8(9(16)6-7)12-15-11-10(17-12)2-1-5-14-11/h1-6,16H,13H2.
What are the key properties of 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol?
5-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 5-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol is sourced from PubChem (CID 938537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).