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

C13H10N4O2 — CID 54924255

IUPAC2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1ccc(-c2nc(-c3cccnc3)no2)cc1O
InChIInChI=1S/C13H10N4O2/c14-10-4-3-8(6-11(10)18)13-16-12(17-19-13)9-2-1-5-15-7-9/h1-7,18H,14H2
InChIKeyYXSHLEAJYKPOGU-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.09
Rot. Bonds2

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

2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 54924255) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID54924255
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESNc1ccc(-c2nc(-c3cccnc3)no2)cc1O
InChIInChI=1S/C13H10N4O2/c14-10-4-3-8(6-11(10)18)13-16-12(17-19-13)9-2-1-5-15-7-9/h1-7,18H,14H2
InChIKeyYXSHLEAJYKPOGU-UHFFFAOYSA-N
XLogP2.09
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol (CID 54924255) is 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol is Nc1ccc(-c2nc(-c3cccnc3)no2)cc1O.
What is the InChIKey of 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is YXSHLEAJYKPOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-10-4-3-8(6-11(10)18)13-16-12(17-19-13)9-2-1-5-15-7-9/h1-7,18H,14H2.
What are the key properties of 2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol?
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 254.25 g/mol, XLogP of 2.09, 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-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 54924255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).