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

C12H15ClN4O2 — CID 119340920

IUPAC2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CN)c1noc(-c2ccccc2)n1.Cl
InChIInChI=1S/C12H14N4O2.ClH/c1-8(14-10(17)7-13)11-15-12(18-16-11)9-5-3-2-4-6-9;/h2-6,8H,7,13H2,1H3,(H,14,17);1H
InChIKeyIJAWDGLPPCDQJO-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.29
Rot. Bonds4

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

2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride (PubChem CID 119340920) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
PubChem CID119340920
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CN)c1noc(-c2ccccc2)n1.Cl
InChIInChI=1S/C12H14N4O2.ClH/c1-8(14-10(17)7-13)11-15-12(18-16-11)9-5-3-2-4-6-9;/h2-6,8H,7,13H2,1H3,(H,14,17);1H
InChIKeyIJAWDGLPPCDQJO-UHFFFAOYSA-N
XLogP1.29
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340919
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637739
(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795867
2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120637740
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 119813900
3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122006749
4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
CID 71917758
N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119813905
1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
CID 167970004
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
(2S)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide;hydrochloride
CID 119344413

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride (CID 119340920) is 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride is CC(NC(=O)CN)c1noc(-c2ccccc2)n1.Cl.
What is the InChIKey of 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride?
The InChIKey is IJAWDGLPPCDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2.ClH/c1-8(14-10(17)7-13)11-15-12(18-16-11)9-5-3-2-4-6-9;/h2-6,8H,7,13H2,1H3,(H,14,17);1H.
What are the key properties of 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride?
2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride has a molecular weight of 282.73 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119340920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).