[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C13H18Cl2N4O2 — CID 120750716

IUPAC[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1CN(C)Cc1noc(CN)n1.Cl
InChIInChI=1S/C13H17ClN4O2.ClH/c1-18(8-12-16-13(6-15)20-17-12)7-9-5-10(14)3-4-11(9)19-2;/h3-5H,6-8,15H2,1-2H3;1H
InChIKeySZNKVADQSRELMK-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.24
Rot. Bonds6

About [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120750716) has the molecular formula C13H18Cl2N4O2 and a molecular weight of 333.22 g/mol. Its IUPAC name is [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120750716
Molecular FormulaC13H18Cl2N4O2
Molecular Weight333.22 g/mol
Exact Mass332.08
IUPAC Name[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCOc1ccc(Cl)cc1CN(C)Cc1noc(CN)n1.Cl
InChIInChI=1S/C13H17ClN4O2.ClH/c1-18(8-12-16-13(6-15)20-17-12)7-9-5-10(14)3-4-11(9)19-2;/h3-5H,6-8,15H2,1-2H3;1H
InChIKeySZNKVADQSRELMK-UHFFFAOYSA-N
XLogP2.24
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride with MolForge

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Related Compounds

4-[[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 120750843
[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750529
[3-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750514
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
[3-[[(3,5-dimethoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751120
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 120751201
1-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 131927462
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(2,4-dichlorophenyl)-N-methylethanamine
CID 120750954
[3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119948324
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(4-chlorophenyl)-N-methylethanamine;hydrochloride
CID 120750945
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120751211

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120750716) is [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is COc1ccc(Cl)cc1CN(C)Cc1noc(CN)n1.Cl.
What is the InChIKey of [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is SZNKVADQSRELMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2.ClH/c1-18(8-12-16-13(6-15)20-17-12)7-9-5-10(14)3-4-11(9)19-2;/h3-5H,6-8,15H2,1-2H3;1H.
What are the key properties of [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 333.22 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120750716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).