4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline

C16H14BrN3O — CID 50769534

IUPAC4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3O/c1-20(2)14-9-5-11(6-10-14)15-18-16(21-19-15)12-3-7-13(17)8-4-12/h3-10H,1-2H3
InChIKeyLCVNJKSYXYGXLM-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.23
Rot. Bonds3

About 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline

4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline (PubChem CID 50769534) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
PubChem CID50769534
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C16H14BrN3O/c1-20(2)14-9-5-11(6-10-14)15-18-16(21-19-15)12-3-7-13(17)8-4-12/h3-10H,1-2H3
InChIKeyLCVNJKSYXYGXLM-UHFFFAOYSA-N
XLogP4.23
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline (CID 50769534) is 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
The InChIKey is LCVNJKSYXYGXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-20(2)14-9-5-11(6-10-14)15-18-16(21-19-15)12-3-7-13(17)8-4-12/h3-10H,1-2H3.
What are the key properties of 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline has a molecular weight of 344.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 50769534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).