2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride

C12H16ClN3O4 — CID 119709902

IUPAC2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc2oc(=O)[nH]c2c1.Cl
InChIInChI=1S/C12H15N3O4.ClH/c1-18-5-4-13-7-11(16)14-8-2-3-10-9(6-8)15-12(17)19-10;/h2-3,6,13H,4-5,7H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyVRKQGCGUSLDHMU-UHFFFAOYSA-N
MW301.73 g/mol
LogP0.72
Rot. Bonds6

About 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride

2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride (PubChem CID 119709902) has the molecular formula C12H16ClN3O4 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride
PubChem CID119709902
Molecular FormulaC12H16ClN3O4
Molecular Weight301.73 g/mol
Exact Mass301.08
IUPAC Name2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc2oc(=O)[nH]c2c1.Cl
InChIInChI=1S/C12H15N3O4.ClH/c1-18-5-4-13-7-11(16)14-8-2-3-10-9(6-8)15-12(17)19-10;/h2-3,6,13H,4-5,7H2,1H3,(H,14,16)(H,15,17);1H
InChIKeyVRKQGCGUSLDHMU-UHFFFAOYSA-N
XLogP0.72
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467305
4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
3-(2,5-dimethylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 134019686
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094344
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
7-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)heptanamide;hydrochloride
CID 119709871
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride (CID 119709902) is 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride is COCCNCC(=O)Nc1ccc2oc(=O)[nH]c2c1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride?
The InChIKey is VRKQGCGUSLDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4.ClH/c1-18-5-4-13-7-11(16)14-8-2-3-10-9(6-8)15-12(17)19-10;/h2-3,6,13H,4-5,7H2,1H3,(H,14,16)(H,15,17);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride has a molecular weight of 301.73 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 119709902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).