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

C15H13ClN4O — CID 154779569

IUPAC2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C15H13ClN4O/c1-20(2)10-7-8-17-13(9-10)15-19-18-14(21-15)11-5-3-4-6-12(11)16/h3-9H,1-2H3
InChIKeyZLSCENNFZHLSEA-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.52
Rot. Bonds3

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

2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine (PubChem CID 154779569) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine
PubChem CID154779569
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccnc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C15H13ClN4O/c1-20(2)10-7-8-17-13(9-10)15-19-18-14(21-15)11-5-3-4-6-12(11)16/h3-9H,1-2H3
InChIKeyZLSCENNFZHLSEA-UHFFFAOYSA-N
XLogP3.52
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine 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-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine (CID 154779569) is 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine is CN(C)c1ccnc(-c2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine?
The InChIKey is ZLSCENNFZHLSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-20(2)10-7-8-17-13(9-10)15-19-18-14(21-15)11-5-3-4-6-12(11)16/h3-9H,1-2H3.
What are the key properties of 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine?
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine has a molecular weight of 300.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 154779569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).