5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine

C22H19ClN4O — CID 44526849

IUPAC5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine
SMILESClc1ncccc1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C22H19ClN4O/c23-20-19(12-7-14-24-20)21-26-22(27-28-21)25-15-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,18H,13,15H2,(H,25,27)
InChIKeyZJAMEDTZBBUACB-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.42
Rot. Bonds7

About 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine

5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine (PubChem CID 44526849) has the molecular formula C22H19ClN4O and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine
PubChem CID44526849
Molecular FormulaC22H19ClN4O
Molecular Weight390.87 g/mol
Exact Mass390.12
IUPAC Name5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine
SMILESClc1ncccc1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C22H19ClN4O/c23-20-19(12-7-14-24-20)21-26-22(27-28-21)25-15-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,18H,13,15H2,(H,25,27)
InChIKeyZJAMEDTZBBUACB-UHFFFAOYSA-N
XLogP5.42
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-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-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine (CID 44526849) is 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine is Clc1ncccc1-c1nc(NCCC(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is ZJAMEDTZBBUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O/c23-20-19(12-7-14-24-20)21-26-22(27-28-21)25-15-13-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,18H,13,15H2,(H,25,27).
What are the key properties of 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine?
5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 390.87 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44526849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).