5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine

C14H11ClN4O — CID 118611411

IUPAC5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(NCc3ccncc3)o2)cc1
InChIInChI=1S/C14H11ClN4O/c15-12-3-1-11(2-4-12)13-18-19-14(20-13)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)
InChIKeyVFNKVKAGOIOUIW-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.40
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine

5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 118611411) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID118611411
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(-c2nnc(NCc3ccncc3)o2)cc1
InChIInChI=1S/C14H11ClN4O/c15-12-3-1-11(2-4-12)13-18-19-14(20-13)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19)
InChIKeyVFNKVKAGOIOUIW-UHFFFAOYSA-N
XLogP3.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-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 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 118611411) is 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine is Clc1ccc(-c2nnc(NCc3ccncc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VFNKVKAGOIOUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-3-1-11(2-4-12)13-18-19-14(20-13)17-9-10-5-7-16-8-6-10/h1-8H,9H2,(H,17,19).
What are the key properties of 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 286.72 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 118611411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).