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

C13H9N3O2 — CID 25054362

IUPAC3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C13H9N3O2/c17-11-5-1-3-9(7-11)12-15-16-13(18-12)10-4-2-6-14-8-10/h1-8,17H
InChIKeyYCJCSYPIWDGPKX-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.50
Rot. Bonds2

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

3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 25054362) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
PubChem CID25054362
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C13H9N3O2/c17-11-5-1-3-9(7-11)12-15-16-13(18-12)10-4-2-6-14-8-10/h1-8,17H
InChIKeyYCJCSYPIWDGPKX-UHFFFAOYSA-N
XLogP2.50
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol (CID 25054362) is 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol is Oc1cccc(-c2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is YCJCSYPIWDGPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-11-5-1-3-9(7-11)12-15-16-13(18-12)10-4-2-6-14-8-10/h1-8,17H.
What are the key properties of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol?
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 239.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 25054362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).