3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride

C8H14ClN3O — CID 75453941

IUPAC3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCCCN2)no1
InChIInChI=1S/C8H13N3O.ClH/c1-2-4-7(9-5-3-1)8-10-6-12-11-8;/h6-7,9H,1-5H2;1H
InChIKeyWIPSHHBMHWZJQN-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.70
Rot. Bonds1

About 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride

3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 75453941) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID75453941
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCCCN2)no1
InChIInChI=1S/C8H13N3O.ClH/c1-2-4-7(9-5-3-1)8-10-6-12-11-8;/h6-7,9H,1-5H2;1H
InChIKeyWIPSHHBMHWZJQN-UHFFFAOYSA-N
XLogP1.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride 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 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 75453941) is 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride is Cl.c1nc(C2CCCCCN2)no1.
What is the InChIKey of 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WIPSHHBMHWZJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-2-4-7(9-5-3-1)8-10-6-12-11-8;/h6-7,9H,1-5H2;1H.
What are the key properties of 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride?
3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 75453941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).