3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride

C14H20ClN5O2 — CID 120957289

IUPAC3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2noc3c2CCCC3)n1.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-19-7-6-15-8-10(19)13-16-14(21-18-13)12-9-4-2-3-5-11(9)20-17-12;/h10,15H,2-8H2,1H3;1H
InChIKeySNVWLUIDTAGPBI-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.60
Rot. Bonds2

About 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride

3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride (PubChem CID 120957289) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride
PubChem CID120957289
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2noc3c2CCCC3)n1.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-19-7-6-15-8-10(19)13-16-14(21-18-13)12-9-4-2-3-5-11(9)20-17-12;/h10,15H,2-8H2,1H3;1H
InChIKeySNVWLUIDTAGPBI-UHFFFAOYSA-N
XLogP1.60
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;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-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
5-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958731
3-(1-methylpiperazin-2-yl)-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 120960436
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
5-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957078
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-(5-bromofuran-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960131
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958991
3-(1-methylpiperazin-2-yl)-5-(4-propylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957261

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride?
The IUPAC name of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride (CID 120957289) is 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride is CN1CCNCC1c1noc(-c2noc3c2CCCC3)n1.Cl.
What is the InChIKey of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride?
The InChIKey is SNVWLUIDTAGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c1-19-7-6-15-8-10(19)13-16-14(21-18-13)12-9-4-2-3-5-11(9)20-17-12;/h10,15H,2-8H2,1H3;1H.
What are the key properties of 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride?
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride is sourced from PubChem (CID 120957289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).