3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride

C17H21ClN4O3 — CID 120868313

IUPAC3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(CC3CC(=O)NC3=O)cc2)n1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-10(18-2)7-14-19-17(24-21-14)12-5-3-11(4-6-12)8-13-9-15(22)20-16(13)23;/h3-6,10,13,18H,7-9H2,1-2H3,(H,20,22,23);1H
InChIKeyIQSJQXJBZSNTNJ-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.51
Rot. Bonds6

About 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride

3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 120868313) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
PubChem CID120868313
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc(CC3CC(=O)NC3=O)cc2)n1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-10(18-2)7-14-19-17(24-21-14)12-5-3-11(4-6-12)8-13-9-15(22)20-16(13)23;/h3-6,10,13,18H,7-9H2,1-2H3,(H,20,22,23);1H
InChIKeyIQSJQXJBZSNTNJ-UHFFFAOYSA-N
XLogP1.51
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride (CID 120868313) is 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride is CNC(C)Cc1noc(-c2ccc(CC3CC(=O)NC3=O)cc2)n1.Cl.
What is the InChIKey of 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is IQSJQXJBZSNTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c1-10(18-2)7-14-19-17(24-21-14)12-5-3-11(4-6-12)8-13-9-15(22)20-16(13)23;/h3-6,10,13,18H,7-9H2,1-2H3,(H,20,22,23);1H.
What are the key properties of 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 120868313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).