2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride

C13H17Cl2N5O2 — CID 120751211

IUPAC2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1noc(CN)n1.Cl
InChIInChI=1S/C13H16ClN5O2.ClH/c1-19(7-11-17-13(6-15)21-18-11)8-12(20)16-10-4-2-3-9(14)5-10;/h2-5H,6-8,15H2,1H3,(H,16,20);1H
InChIKeyBXCHTLXLSPMGBM-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.67
Rot. Bonds6

About 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride (PubChem CID 120751211) has the molecular formula C13H17Cl2N5O2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
PubChem CID120751211
Molecular FormulaC13H17Cl2N5O2
Molecular Weight346.22 g/mol
Exact Mass345.08
IUPAC Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1noc(CN)n1.Cl
InChIInChI=1S/C13H16ClN5O2.ClH/c1-19(7-11-17-13(6-15)21-18-11)8-12(20)16-10-4-2-3-9(14)5-10;/h2-5H,6-8,15H2,1H3,(H,16,20);1H
InChIKeyBXCHTLXLSPMGBM-UHFFFAOYSA-N
XLogP1.67
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 120750559
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 120750434
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 120751904
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(3-chlorophenyl)-2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 37131235
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 86794347
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 47070086
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride (CID 120751211) is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride is CN(CC(=O)Nc1cccc(Cl)c1)Cc1noc(CN)n1.Cl.
What is the InChIKey of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride?
The InChIKey is BXCHTLXLSPMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2.ClH/c1-19(7-11-17-13(6-15)21-18-11)8-12(20)16-10-4-2-3-9(14)5-10;/h2-5H,6-8,15H2,1H3,(H,16,20);1H.
What are the key properties of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride?
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride has a molecular weight of 346.22 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 120751211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).