2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide

C12H15N3O4 — CID 61487292

IUPAC2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C12H15N3O4/c1-18-5-4-14-11(16)7-15-9-6-8(13)2-3-10(9)19-12(15)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyIQVRVZOHHIFPSX-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.06
Rot. Bonds5

About 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide

2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 61487292) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID61487292
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)oc2ccc(N)cc21
InChIInChI=1S/C12H15N3O4/c1-18-5-4-14-11(16)7-15-9-6-8(13)2-3-10(9)19-12(15)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyIQVRVZOHHIFPSX-UHFFFAOYSA-N
XLogP-0.06
TPSA99.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide (CID 61487292) is 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(=O)oc2ccc(N)cc21.
What is the InChIKey of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is IQVRVZOHHIFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-18-5-4-14-11(16)7-15-9-6-8(13)2-3-10(9)19-12(15)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,16).
What are the key properties of 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide?
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 265.27 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61487292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).