2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride

C13H18ClN3O3S — CID 119698131

IUPAC2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1coc(-c2cccs2)n1.Cl
InChIInChI=1S/C13H17N3O3S.ClH/c1-18-5-4-14-8-12(17)15-7-10-9-19-13(16-10)11-3-2-6-20-11;/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,17);1H
InChIKeyCIOGPMDEOYMIEE-UHFFFAOYSA-N
MW331.82 g/mol
LogP1.68
Rot. Bonds8

About 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride (PubChem CID 119698131) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
PubChem CID119698131
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.82 g/mol
Exact Mass331.08
IUPAC Name2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCc1coc(-c2cccs2)n1.Cl
InChIInChI=1S/C13H17N3O3S.ClH/c1-18-5-4-14-8-12(17)15-7-10-9-19-13(16-10)11-3-2-6-20-11;/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,17);1H
InChIKeyCIOGPMDEOYMIEE-UHFFFAOYSA-N
XLogP1.68
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
2-(2-methoxyethylamino)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119782299
1-(2-methoxyethyl)-2-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110940049
N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
CID 42209438
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
3-bromo-2,5-dimethoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 30338040
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-ethyl-3-(2-methoxyethyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110940051
3-(2-methoxyethoxymethyl)-N'-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 111746892
methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86994732
2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 80740331

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride (CID 119698131) is 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride is COCCNCC(=O)NCc1coc(-c2cccs2)n1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
The InChIKey is CIOGPMDEOYMIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S.ClH/c1-18-5-4-14-8-12(17)15-7-10-9-19-13(16-10)11-3-2-6-20-11;/h2-3,6,9,14H,4-5,7-8H2,1H3,(H,15,17);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride has a molecular weight of 331.82 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119698131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).