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

C9H9N3O3 — CID 6485818

IUPAC2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESNC(=O)Cn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C9H9N3O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4,10H2,(H2,11,13)
InChIKeyMWVDQACCXLYDHT-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.34
Rot. Bonds2

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

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 6485818) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID6485818
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESNC(=O)Cn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C9H9N3O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4,10H2,(H2,11,13)
InChIKeyMWVDQACCXLYDHT-UHFFFAOYSA-N
XLogP-0.34
TPSA104.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 61307519
2-(6-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 11680081
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 61307344
2-(2-oxo-6-propan-2-yl-1,3-benzoxazol-3-yl)acetamide
CID 59333208
6-amino-3-(5-hydroxypentyl)-1,3-benzoxazol-2-one
CID 55053294
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)-N-pentan-3-ylacetamide
CID 61489818
5-(6-amino-2-oxo-1,3-benzoxazol-3-yl)pentanenitrile
CID 54965994
6-amino-3-(cyclobutylmethyl)-1,3-benzoxazol-2-one
CID 65458515
6-amino-3-[(2-methyltetrazol-5-yl)methyl]-1,3-benzoxazol-2-one
CID 107042825
6-amino-3-[(2,4-dimethylphenyl)methyl]-1,3-benzoxazol-2-one
CID 82092548
6-amino-3-(2-propan-2-ylsulfonylethyl)-1,3-benzoxazol-2-one
CID 106724688
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
CID 43447892

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 6485818) is 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide is NC(=O)Cn1c(=O)oc2cc(N)ccc21.
What is the InChIKey of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is MWVDQACCXLYDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4,10H2,(H2,11,13).
What are the key properties of 2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide?
2-(6-amino-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 207.19 g/mol, XLogP of -0.34, 2 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)acetamide is sourced from PubChem (CID 6485818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).