5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

C16H17Cl2N5O2 — CID 120956487

IUPAC5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cc(-c3ccccc3Cl)on2)n1.Cl
InChIInChI=1S/C16H16ClN5O2.ClH/c1-22-7-6-18-9-13(22)15-19-16(24-21-15)12-8-14(23-20-12)10-4-2-3-5-11(10)17;/h2-5,8,13,18H,6-7,9H2,1H3;1H
InChIKeyFBUXFSLREQZCEU-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.04
Rot. Bonds3

About 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride

5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120956487) has the molecular formula C16H17Cl2N5O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120956487
Molecular FormulaC16H17Cl2N5O2
Molecular Weight382.25 g/mol
Exact Mass381.08
IUPAC Name5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cc(-c3ccccc3Cl)on2)n1.Cl
InChIInChI=1S/C16H16ClN5O2.ClH/c1-22-7-6-18-9-13(22)15-19-16(24-21-15)12-8-14(23-20-12)10-4-2-3-5-11(10)17;/h2-5,8,13,18H,6-7,9H2,1H3;1H
InChIKeyFBUXFSLREQZCEU-UHFFFAOYSA-N
XLogP3.04
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-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

Related Compounds

5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959246
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
3-(1-methylpiperazin-2-yl)-5-(1-phenyltriazol-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960090
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 120956487) is 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is CN1CCNCC1c1noc(-c2cc(-c3ccccc3Cl)on2)n1.Cl.
What is the InChIKey of 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is FBUXFSLREQZCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2.ClH/c1-22-7-6-18-9-13(22)15-19-16(24-21-15)12-8-14(23-20-12)10-4-2-3-5-11(10)17;/h2-5,8,13,18H,6-7,9H2,1H3;1H.
What are the key properties of 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride?
5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 382.25 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120956487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).