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

C9H9ClN4O — CID 106956482

IUPAC5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(NCc2ccccn2)o1
InChIInChI=1S/C9H9ClN4O/c10-5-8-13-14-9(15-8)12-6-7-3-1-2-4-11-7/h1-4H,5-6H2,(H,12,14)
InChIKeyNDVSOBKVVHEERL-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.82
Rot. Bonds4

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

5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106956482) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106956482
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESClCc1nnc(NCc2ccccn2)o1
InChIInChI=1S/C9H9ClN4O/c10-5-8-13-14-9(15-8)12-6-7-3-1-2-4-11-7/h1-4H,5-6H2,(H,12,14)
InChIKeyNDVSOBKVVHEERL-UHFFFAOYSA-N
XLogP1.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-N-(pyridin-2-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

Related Compounds

5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968280
5-(chloromethyl)-N-pyridin-2-yl-1,3,4-oxadiazol-2-amine
CID 106958159
N-[(2-bromothiophen-3-yl)methyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 131165776
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 115749808
2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106957989
N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730521
N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 123270108
3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
5-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969217
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106956482) is 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is ClCc1nnc(NCc2ccccn2)o1.
What is the InChIKey of 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NDVSOBKVVHEERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c10-5-8-13-14-9(15-8)12-6-7-3-1-2-4-11-7/h1-4H,5-6H2,(H,12,14).
What are the key properties of 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 224.65 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106956482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).