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

C7H5N3O — CID 775636

IUPAC2-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnco2)ccn1
InChIInChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-10-9-5-11-7/h1-5H
InChIKeyUTYDSRLFMRPPHP-UHFFFAOYSA-N
MW147.14 g/mol
LogP1.13
Rot. Bonds1

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

2-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 775636) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID775636
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name2-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnco2)ccn1
InChIInChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-10-9-5-11-7/h1-5H
InChIKeyUTYDSRLFMRPPHP-UHFFFAOYSA-N
XLogP1.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-1,3,4-oxadiazole (CID 775636) is 2-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnco2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is UTYDSRLFMRPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c1-3-8-4-2-6(1)7-10-9-5-11-7/h1-5H.
What are the key properties of 2-pyridin-4-yl-1,3,4-oxadiazole?
2-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 147.14 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 775636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).