3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C18H22ClN5O — CID 120955540

IUPAC3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1ccc(-c2noc(C3(n4cccn4)CCNCC3)n2)cc1.Cl
InChIInChI=1S/C18H21N5O.ClH/c1-2-14-4-6-15(7-5-14)16-21-17(24-22-16)18(8-11-19-12-9-18)23-13-3-10-20-23;/h3-7,10,13,19H,2,8-9,11-12H2,1H3;1H
InChIKeyWDIHEWNZEFVEMC-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.04
Rot. Bonds4

About 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120955540) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120955540
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCCc1ccc(-c2noc(C3(n4cccn4)CCNCC3)n2)cc1.Cl
InChIInChI=1S/C18H21N5O.ClH/c1-2-14-4-6-15(7-5-14)16-21-17(24-22-16)18(8-11-19-12-9-18)23-13-3-10-20-23;/h3-7,10,13,19H,2,8-9,11-12H2,1H3;1H
InChIKeyWDIHEWNZEFVEMC-UHFFFAOYSA-N
XLogP3.04
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-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

Related Compounds

3-(6-piperidin-1-yl-3-pyridinyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955741
3-pyrazin-2-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955874
3-isoquinolin-1-yl-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120955566
5-(4-pyrazol-1-ylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120955600
3-[(4-fluorophenoxy)methyl]-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 120955905
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123728
5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 63123750
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926643

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 120955540) is 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is CCc1ccc(-c2noc(C3(n4cccn4)CCNCC3)n2)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is WDIHEWNZEFVEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.ClH/c1-2-14-4-6-15(7-5-14)16-21-17(24-22-16)18(8-11-19-12-9-18)23-13-3-10-20-23;/h3-7,10,13,19H,2,8-9,11-12H2,1H3;1H.
What are the key properties of 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-(4-pyrazol-1-ylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120955540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).