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

C15H20ClN5O2 — CID 120751794

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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Related Compounds

3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
(3R)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 95623639
3-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120751907
(3S)-3-[methyl-[(1-phenyl-1,2,4-triazol-3-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 124516406
(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95306666
(3R)-3-[ethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-phenylpyrrolidin-2-one
CID 95619575
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine
CID 120752901
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)aniline;hydrochloride
CID 120752301

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).