2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole

C13H9N3O — CID 731741

IUPAC2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C13H9N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h1-9H
InChIKeyTUIXVQYWFSEXHA-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.80
Rot. Bonds2

About 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole

2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 731741) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID731741
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C13H9N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h1-9H
InChIKeyTUIXVQYWFSEXHA-UHFFFAOYSA-N
XLogP2.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole (CID 731741) is 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is TUIXVQYWFSEXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-2-4-10(5-3-1)12-15-16-13(17-12)11-6-8-14-9-7-11/h1-9H.
What are the key properties of 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole?
2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 223.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 731741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).