2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile

C15H8BrN3O2 — CID 155569666

IUPAC2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H8BrN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H
InChIKeyWIUGQETTYKDHCQ-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.16
Rot. Bonds3

About 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile

2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile (PubChem CID 155569666) has the molecular formula C15H8BrN3O2 and a molecular weight of 342.15 g/mol. Its IUPAC name is 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile
PubChem CID155569666
Molecular FormulaC15H8BrN3O2
Molecular Weight342.15 g/mol
Exact Mass340.98
IUPAC Name2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile
SMILESN#Cc1c(Br)cccc1Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C15H8BrN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H
InChIKeyWIUGQETTYKDHCQ-UHFFFAOYSA-N
XLogP4.16
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
The IUPAC name of 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile (CID 155569666) is 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile.
What is the SMILES notation for 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
The canonical SMILES for 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile is N#Cc1c(Br)cccc1Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
The InChIKey is WIUGQETTYKDHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrN3O2/c16-13-2-1-3-14(12(13)8-17)21-11-6-4-10(5-7-11)15-19-18-9-20-15/h1-7,9H.
What are the key properties of 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile?
2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile has a molecular weight of 342.15 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[4-(1,3,4-oxadiazol-2-yl)phenoxy]benzonitrile is sourced from PubChem (CID 155569666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).