2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide

C11H13N3O3 — CID 61307344

IUPAC2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C11H13N3O3/c1-2-13-10(15)6-14-8-4-3-7(12)5-9(8)17-11(14)16/h3-5H,2,6,12H2,1H3,(H,13,15)
InChIKeyJPZGRAKOKLNLPB-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.31
Rot. Bonds3

About 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide (PubChem CID 61307344) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
PubChem CID61307344
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C11H13N3O3/c1-2-13-10(15)6-14-8-4-3-7(12)5-9(8)17-11(14)16/h3-5H,2,6,12H2,1H3,(H,13,15)
InChIKeyJPZGRAKOKLNLPB-UHFFFAOYSA-N
XLogP0.31
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide (CID 61307344) is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide is CCNC(=O)Cn1c(=O)oc2cc(N)ccc21.
What is the InChIKey of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
The InChIKey is JPZGRAKOKLNLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-13-10(15)6-14-8-4-3-7(12)5-9(8)17-11(14)16/h3-5H,2,6,12H2,1H3,(H,13,15).
What are the key properties of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide?
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide has a molecular weight of 235.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide is sourced from PubChem (CID 61307344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).