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

C12H9N5O2 — CID 137012853

IUPAC2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1ccc(-c2nc(-c3ccncn3)no2)cc1O
InChIInChI=1S/C12H9N5O2/c13-8-2-1-7(5-10(8)18)12-16-11(17-19-12)9-3-4-14-6-15-9/h1-6,18H,13H2
InChIKeyZBOPEHQVFDEGEO-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.48
Rot. Bonds2

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

2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 137012853) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID137012853
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1ccc(-c2nc(-c3ccncn3)no2)cc1O
InChIInChI=1S/C12H9N5O2/c13-8-2-1-7(5-10(8)18)12-16-11(17-19-12)9-3-4-14-6-15-9/h1-6,18H,13H2
InChIKeyZBOPEHQVFDEGEO-UHFFFAOYSA-N
XLogP1.48
TPSA110.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 107706890
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
[4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 115528746
N-methyl-4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698928
4-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-amine
CID 113329157
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 60836256
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 115528772
2-fluoro-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 115528928
2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012864
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol (CID 137012853) is 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol is Nc1ccc(-c2nc(-c3ccncn3)no2)cc1O.
What is the InChIKey of 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is ZBOPEHQVFDEGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c13-8-2-1-7(5-10(8)18)12-16-11(17-19-12)9-3-4-14-6-15-9/h1-6,18H,13H2.
What are the key properties of 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 255.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 137012853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).