2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol

C12H9N3O2S — CID 60837408

IUPAC2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1ccc(-c2nc(-c3cccs3)no2)cc1O
InChIInChI=1S/C12H9N3O2S/c13-8-4-3-7(6-9(8)16)12-14-11(15-17-12)10-2-1-5-18-10/h1-6,16H,13H2
InChIKeyZGLHOWUMCIZRBU-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.75
Rot. Bonds2

About 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol

2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 60837408) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID60837408
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1ccc(-c2nc(-c3cccs3)no2)cc1O
InChIInChI=1S/C12H9N3O2S/c13-8-4-3-7(6-9(8)16)12-14-11(15-17-12)10-2-1-5-18-10/h1-6,16H,13H2
InChIKeyZGLHOWUMCIZRBU-UHFFFAOYSA-N
XLogP2.75
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 60836256
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849
3-carbamoyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 71419452
2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012853
5-(1,2,3,4-tetrahydroquinolin-6-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43325498
2-amino-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136872227
4-[5-(4-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810165

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol (CID 60837408) is 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol is Nc1ccc(-c2nc(-c3cccs3)no2)cc1O.
What is the InChIKey of 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is ZGLHOWUMCIZRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c13-8-4-3-7(6-9(8)16)12-14-11(15-17-12)10-2-1-5-18-10/h1-6,16H,13H2.
What are the key properties of 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 259.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 60837408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).