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

C16H14ClN3O — CID 50769449

IUPAC4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H14ClN3O/c1-20(2)14-8-6-11(7-9-14)15-18-16(21-19-15)12-4-3-5-13(17)10-12/h3-10H,1-2H3
InChIKeyPZVLEHZJFHAVEK-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.12
Rot. Bonds3

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

4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline (PubChem CID 50769449) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
PubChem CID50769449
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H14ClN3O/c1-20(2)14-8-6-11(7-9-14)15-18-16(21-19-15)12-4-3-5-13(17)10-12/h3-10H,1-2H3
InChIKeyPZVLEHZJFHAVEK-UHFFFAOYSA-N
XLogP4.12
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778455
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
N,N-dimethyl-3-[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 50769624
3-tert-butyl-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 143176683
2-[5-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]-N,N-dimethylethanamine
CID 53179931
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
5-(3-chlorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173299
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 99705057
N,N-dimethyl-4-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)aniline
CID 53013602
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline (CID 50769449) is 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
The InChIKey is PZVLEHZJFHAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20(2)14-8-6-11(7-9-14)15-18-16(21-19-15)12-4-3-5-13(17)10-12/h3-10H,1-2H3.
What are the key properties of 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline?
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline has a molecular weight of 299.76 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 50769449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).