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3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride

C15H20ClN5O2 — CID 120751794

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCN(Cc1noc(CN)n1)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-19(10-13-17-14(9-16)22-18-13)12-7-8-20(15(12)21)11-5-3-2-4-6-11;/h2-6,12H,7-10,16H2,1H3;1H
InChIKeyVIFCXEQRYOFIQJ-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.19
Rot. Bonds5

About 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride

3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride (PubChem CID 120751794) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride
PubChem CID120751794
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCN(Cc1noc(CN)n1)C1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-19(10-13-17-14(9-16)22-18-13)12-7-8-20(15(12)21)11-5-3-2-4-6-11;/h2-6,12H,7-10,16H2,1H3;1H
InChIKeyVIFCXEQRYOFIQJ-UHFFFAOYSA-N
XLogP1.19
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride (CID 120751794) is 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride is CN(Cc1noc(CN)n1)C1CCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride?
The InChIKey is VIFCXEQRYOFIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c1-19(10-13-17-14(9-16)22-18-13)12-7-8-20(15(12)21)11-5-3-2-4-6-11;/h2-6,12H,7-10,16H2,1H3;1H.
What are the key properties of 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride?
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-phenylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120751794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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