4-(2-bromo-1,3-oxazol-4-yl)benzonitrile

C10H5BrN2O — CID 102974567

IUPAC4-(2-bromo-1,3-oxazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2coc(Br)n2)cc1
InChIInChI=1S/C10H5BrN2O/c11-10-13-9(6-14-10)8-3-1-7(5-12)2-4-8/h1-4,6H
InChIKeyRWFCZQWTNJRFEO-UHFFFAOYSA-N
MW249.07 g/mol
LogP2.98
Rot. Bonds1

About 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile

4-(2-bromo-1,3-oxazol-4-yl)benzonitrile (PubChem CID 102974567) has the molecular formula C10H5BrN2O and a molecular weight of 249.07 g/mol. Its IUPAC name is 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-bromo-1,3-oxazol-4-yl)benzonitrile
PubChem CID102974567
Molecular FormulaC10H5BrN2O
Molecular Weight249.07 g/mol
Exact Mass247.96
IUPAC Name4-(2-bromo-1,3-oxazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2coc(Br)n2)cc1
InChIInChI=1S/C10H5BrN2O/c11-10-13-9(6-14-10)8-3-1-7(5-12)2-4-8/h1-4,6H
InChIKeyRWFCZQWTNJRFEO-UHFFFAOYSA-N
XLogP2.98
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-iodo-1,3-oxazol-4-yl)benzonitrile
CID 68902484
4-(2-phenyl-1,3-oxazol-4-yl)benzonitrile
CID 58119309
2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole
CID 102974645
4-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771370
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
4-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 62942163
N-[4-(4-cyanophenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-carboxamide
CID 175446073
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[2-[1-methyl-3-(trifluoromethyl)pyrrolidin-3-yl]-1,3-oxazol-4-yl]benzonitrile
CID 171087097
2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
CID 62234615
4-(6-aminopyrazin-2-yl)benzonitrile
CID 71303141
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile?
The IUPAC name of 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile (CID 102974567) is 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile?
The canonical SMILES for 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile is N#Cc1ccc(-c2coc(Br)n2)cc1.
What is the InChIKey of 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile?
The InChIKey is RWFCZQWTNJRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN2O/c11-10-13-9(6-14-10)8-3-1-7(5-12)2-4-8/h1-4,6H.
What are the key properties of 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile?
4-(2-bromo-1,3-oxazol-4-yl)benzonitrile has a molecular weight of 249.07 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-1,3-oxazol-4-yl)benzonitrile is sourced from PubChem (CID 102974567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).