2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride

C16H22ClN3O3 — CID 119799043

IUPAC2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-12(19-15(20)11-17-8-9-21-2)16-18-10-14(22-16)13-6-4-3-5-7-13;/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,19,20);1H
InChIKeyYAGANWSSUGJAAT-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.18
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride (PubChem CID 119799043) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride
PubChem CID119799043
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C16H21N3O3.ClH/c1-12(19-15(20)11-17-8-9-21-2)16-18-10-14(22-16)13-6-4-3-5-7-13;/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,19,20);1H
InChIKeyYAGANWSSUGJAAT-UHFFFAOYSA-N
XLogP2.18
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-(methoxymethyl)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidine-4-carboxamide
CID 120635254
2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
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7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide
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2-(2-methoxyethylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119670239
2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
CID 119799047
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
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2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride
CID 119785054
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride (CID 119799043) is 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride is COCCNCC(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride?
The InChIKey is YAGANWSSUGJAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/c1-12(19-15(20)11-17-8-9-21-2)16-18-10-14(22-16)13-6-4-3-5-7-13;/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119799043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).