1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride

C17H22ClN5O2 — CID 120960456

IUPAC1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cccc(N3CCCC3=O)c2)n1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-21-9-7-18-11-14(21)16-19-17(24-20-16)12-4-2-5-13(10-12)22-8-3-6-15(22)23;/h2,4-5,10,14,18H,3,6-9,11H2,1H3;1H
InChIKeyQPHAJTOLLKYZSH-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.86
Rot. Bonds3

About 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride

1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120960456) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
PubChem CID120960456
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride
SMILESCN1CCNCC1c1noc(-c2cccc(N3CCCC3=O)c2)n1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-21-9-7-18-11-14(21)16-19-17(24-20-16)12-4-2-5-13(10-12)22-8-3-6-15(22)23;/h2,4-5,10,14,18H,3,6-9,11H2,1H3;1H
InChIKeyQPHAJTOLLKYZSH-UHFFFAOYSA-N
XLogP1.86
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

3-(1-methylpiperazin-2-yl)-5-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120957809
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353
5-(3-imidazol-1-ylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957776
3-(1-methylpiperazin-2-yl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120960011
N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120956116
[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]urea;hydrochloride
CID 120957411
1-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]diazinane-3,6-dione
CID 120959285
3-(1-methylpiperazin-2-yl)-5-[3-(1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120961460
5-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120961614
1-[4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-2-one
CID 167832242
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride (CID 120960456) is 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride is CN1CCNCC1c1noc(-c2cccc(N3CCCC3=O)c2)n1.Cl.
What is the InChIKey of 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is QPHAJTOLLKYZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.ClH/c1-21-9-7-18-11-14(21)16-19-17(24-20-16)12-4-2-5-13(10-12)22-8-3-6-15(22)23;/h2,4-5,10,14,18H,3,6-9,11H2,1H3;1H.
What are the key properties of 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride?
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120960456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).