2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

C13H17ClN4O2 — CID 120833829

IUPAC2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCCc1ccc(-c2noc(CNC(=O)CN)n2)cc1.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-2-9-3-5-10(6-4-9)13-16-12(19-17-13)8-15-11(18)7-14;/h3-6H,2,7-8,14H2,1H3,(H,15,18);1H
InChIKeyGNIRPUIMVSXKCE-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.30
Rot. Bonds5

About 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride

2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (PubChem CID 120833829) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
PubChem CID120833829
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
SMILESCCc1ccc(-c2noc(CNC(=O)CN)n2)cc1.Cl
InChIInChI=1S/C13H16N4O2.ClH/c1-2-9-3-5-10(6-4-9)13-16-12(19-17-13)8-15-11(18)7-14;/h3-6H,2,7-8,14H2,1H3,(H,15,18);1H
InChIKeyGNIRPUIMVSXKCE-UHFFFAOYSA-N
XLogP1.30
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
CID 47093633
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]propanamide
CID 153384065
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-N-methylacetamide
CID 8772536
2-amino-N-[[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120841607
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride (CID 120833829) is 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is CCc1ccc(-c2noc(CNC(=O)CN)n2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
The InChIKey is GNIRPUIMVSXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.ClH/c1-2-9-3-5-10(6-4-9)13-16-12(19-17-13)8-15-11(18)7-14;/h3-6H,2,7-8,14H2,1H3,(H,15,18);1H.
What are the key properties of 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride?
2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 120833829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).