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

C15H22ClN5O3 — CID 120750508

IUPAC2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1noc(CN)n1.Cl
InChIInChI=1S/C15H21N5O3.ClH/c1-3-20(9-13-18-15(8-16)23-19-13)10-14(21)17-11-6-4-5-7-12(11)22-2;/h4-7H,3,8-10,16H2,1-2H3,(H,17,21);1H
InChIKeyTXRCBWBVBASSQV-UHFFFAOYSA-N
MW355.83 g/mol
LogP1.42
Rot. Bonds8

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

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride (PubChem CID 120750508) has the molecular formula C15H22ClN5O3 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride
PubChem CID120750508
Molecular FormulaC15H22ClN5O3
Molecular Weight355.83 g/mol
Exact Mass355.14
IUPAC Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCCN(CC(=O)Nc1ccccc1OC)Cc1noc(CN)n1.Cl
InChIInChI=1S/C15H21N5O3.ClH/c1-3-20(9-13-18-15(8-16)23-19-13)10-14(21)17-11-6-4-5-7-12(11)22-2;/h4-7H,3,8-10,16H2,1-2H3,(H,17,21);1H
InChIKeyTXRCBWBVBASSQV-UHFFFAOYSA-N
XLogP1.42
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 120751904
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 120751171
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[ethyl-[[2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]methyl]amino]-N-(2-methoxyphenyl)acetamide
CID 100707008
N-(2-methoxyphenyl)-2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 51223786
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 120751201
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-propylamino]-N-methylacetamide
CID 114218012
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride (CID 120750508) is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride is CCN(CC(=O)Nc1ccccc1OC)Cc1noc(CN)n1.Cl.
What is the InChIKey of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is TXRCBWBVBASSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3.ClH/c1-3-20(9-13-18-15(8-16)23-19-13)10-14(21)17-11-6-4-5-7-12(11)22-2;/h4-7H,3,8-10,16H2,1-2H3,(H,17,21);1H.
What are the key properties of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride?
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 355.83 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-ethylamino]-N-(2-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120750508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).