4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

C14H7BrN4O — CID 104676829

IUPAC4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3cncc(Br)c3)no2)cc1
InChIInChI=1S/C14H7BrN4O/c15-12-5-11(7-17-8-12)13-18-14(20-19-13)10-3-1-9(6-16)2-4-10/h1-5,7-8H
InChIKeyUONBTQKBSGTYHL-UHFFFAOYSA-N
MW327.14 g/mol
LogP3.43
Rot. Bonds2

About 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile

4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile (PubChem CID 104676829) has the molecular formula C14H7BrN4O and a molecular weight of 327.14 g/mol. Its IUPAC name is 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
PubChem CID104676829
Molecular FormulaC14H7BrN4O
Molecular Weight327.14 g/mol
Exact Mass325.98
IUPAC Name4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3cncc(Br)c3)no2)cc1
InChIInChI=1S/C14H7BrN4O/c15-12-5-11(7-17-8-12)13-18-14(20-19-13)10-3-1-9(6-16)2-4-10/h1-5,7-8H
InChIKeyUONBTQKBSGTYHL-UHFFFAOYSA-N
XLogP3.43
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136700949
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524721
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
4-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526530
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 107283100
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526135
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526743
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 103655221
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526811
4-[3-(3-hydroxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 71094219

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile (CID 104676829) is 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3cncc(Br)c3)no2)cc1.
What is the InChIKey of 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
The InChIKey is UONBTQKBSGTYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrN4O/c15-12-5-11(7-17-8-12)13-18-14(20-19-13)10-3-1-9(6-16)2-4-10/h1-5,7-8H.
What are the key properties of 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile?
4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile has a molecular weight of 327.14 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile is sourced from PubChem (CID 104676829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).