1-(2,1-benzoxazol-6-yl)ethanone

C9H7NO2 — CID 84764334

IUPAC1-(2,1-benzoxazol-6-yl)ethanone
SMILESCC(=O)c1ccc2conc2c1
InChIInChI=1S/C9H7NO2/c1-6(11)7-2-3-8-5-12-10-9(8)4-7/h2-5H,1H3
InChIKeyKLBDDABZRLSEEW-UHFFFAOYSA-N
MW161.16 g/mol
LogP2.03
Rot. Bonds1

About 1-(2,1-benzoxazol-6-yl)ethanone

1-(2,1-benzoxazol-6-yl)ethanone (PubChem CID 84764334) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(2,1-benzoxazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(2,1-benzoxazol-6-yl)ethanone
PubChem CID84764334
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-(2,1-benzoxazol-6-yl)ethanone
SMILESCC(=O)c1ccc2conc2c1
InChIInChI=1S/C9H7NO2/c1-6(11)7-2-3-8-5-12-10-9(8)4-7/h2-5H,1H3
InChIKeyKLBDDABZRLSEEW-UHFFFAOYSA-N
XLogP2.03
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,1-benzoxazol-6-yl)ethanone 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

1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-(2-bromo-1,3-benzothiazol-6-yl)ethanone
CID 11673296
1-(2,1,3-benzoselenadiazol-5-yl)ethanone
CID 21216050
1-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)ethanone
CID 83894123
1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone
CID 84673454
1-(3-ethyl-2,1-benzoxazol-6-yl)ethanone
CID 15556349
1-(2-methylbenzotriazol-5-yl)ethanone
CID 84750928
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
1-[2-(chloromethyl)-1,3-benzoxazol-5-yl]ethanone
CID 83754292
1-[2-(trifluoromethyl)-1,3-benzothiazol-5-yl]ethanone
CID 84704981
CID 156813842
CID 156813842
1-[2-(dimethylamino)quinolin-6-yl]ethanone
CID 67106365

Frequently Asked Questions

What is the IUPAC name of 1-(2,1-benzoxazol-6-yl)ethanone?
The IUPAC name of 1-(2,1-benzoxazol-6-yl)ethanone (CID 84764334) is 1-(2,1-benzoxazol-6-yl)ethanone.
What is the SMILES notation for 1-(2,1-benzoxazol-6-yl)ethanone?
The canonical SMILES for 1-(2,1-benzoxazol-6-yl)ethanone is CC(=O)c1ccc2conc2c1.
What is the InChIKey of 1-(2,1-benzoxazol-6-yl)ethanone?
The InChIKey is KLBDDABZRLSEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c1-6(11)7-2-3-8-5-12-10-9(8)4-7/h2-5H,1H3.
What are the key properties of 1-(2,1-benzoxazol-6-yl)ethanone?
1-(2,1-benzoxazol-6-yl)ethanone has a molecular weight of 161.16 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1-benzoxazol-6-yl)ethanone is sourced from PubChem (CID 84764334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).