6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one

C12H9N3O2 — CID 113242136

IUPAC6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
SMILESNc1ccc2nc(-c3cccc(=O)[nH]3)oc2c1
InChIInChI=1S/C12H9N3O2/c13-7-4-5-8-10(6-7)17-12(15-8)9-2-1-3-11(16)14-9/h1-6H,13H2,(H,14,16)
InChIKeyPLMOBAGLGAXGCC-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.77
Rot. Bonds1

About 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one

6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one (PubChem CID 113242136) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
PubChem CID113242136
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one
SMILESNc1ccc2nc(-c3cccc(=O)[nH]3)oc2c1
InChIInChI=1S/C12H9N3O2/c13-7-4-5-8-10(6-7)17-12(15-8)9-2-1-3-11(16)14-9/h1-6H,13H2,(H,14,16)
InChIKeyPLMOBAGLGAXGCC-UHFFFAOYSA-N
XLogP1.77
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-amino-1,3-benzoxazol-2-yl)benzamide
CID 95911825
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
2-(2-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
2-(4-methylthiophen-3-yl)-1,3-benzoxazol-6-amine
CID 79802029
2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
2-(5-methyl-1,3-oxazol-2-yl)-1,3-benzoxazol-6-amine
CID 96611710
6-amino-2-[6-(6-amino-4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one
CID 59140890
2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazol-6-amine
CID 100817959
2-(5-chlorothiophen-2-yl)-1,3-benzoxazol-6-amine
CID 62276683
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
CID 65199108
2-(2-ethyl-5-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine
CID 66120071
2-(4-fluoro-2-iodophenyl)-1,3-benzoxazol-6-amine
CID 114029281

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one (CID 113242136) is 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one is Nc1ccc2nc(-c3cccc(=O)[nH]3)oc2c1.
What is the InChIKey of 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
The InChIKey is PLMOBAGLGAXGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-7-4-5-8-10(6-7)17-12(15-8)9-2-1-3-11(16)14-9/h1-6H,13H2,(H,14,16).
What are the key properties of 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one?
6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-1,3-benzoxazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 113242136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).