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

C14H8N4O — CID 24776451

IUPAC3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)13-17-18-14(19-13)12-5-2-6-16-9-12/h1-7,9H
InChIKeyQHPFKJSSVIVVDV-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.67
Rot. Bonds2

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

3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile (PubChem CID 24776451) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile
PubChem CID24776451
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)13-17-18-14(19-13)12-5-2-6-16-9-12/h1-7,9H
InChIKeyQHPFKJSSVIVVDV-UHFFFAOYSA-N
XLogP2.67
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
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)benzonitrile?
The IUPAC name of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile (CID 24776451) is 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile.
What is the SMILES notation for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile?
The canonical SMILES for 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile is N#Cc1cccc(-c2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile?
The InChIKey is QHPFKJSSVIVVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)13-17-18-14(19-13)12-5-2-6-16-9-12/h1-7,9H.
What are the key properties of 3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile?
3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzonitrile has a molecular weight of 248.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 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)benzonitrile is sourced from PubChem (CID 24776451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).