1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone

C6H5F2NO2 — CID 84764298

IUPAC1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(C(F)F)n1
InChIInChI=1S/C6H5F2NO2/c1-3(10)4-2-11-6(9-4)5(7)8/h2,5H,1H3
InChIKeyAQKWJSGDPRZSSJ-UHFFFAOYSA-N
MW161.11 g/mol
LogP1.81
Rot. Bonds2

About 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone

1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 84764298) has the molecular formula C6H5F2NO2 and a molecular weight of 161.11 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone
PubChem CID84764298
Molecular FormulaC6H5F2NO2
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(C(F)F)n1
InChIInChI=1S/C6H5F2NO2/c1-3(10)4-2-11-6(9-4)5(7)8/h2,5H,1H3
InChIKeyAQKWJSGDPRZSSJ-UHFFFAOYSA-N
XLogP1.81
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(difluoromethyl)-1,3-oxazol-4-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

2-Methyl-1,3-oxazole-4-carbaldehyde
CID 11073372
1-(1,3-Oxazol-4-yl)ethan-1-one
CID 22220875
1-(2-Methyloxazol-4-yl)ethanone
CID 15565394
2-(Trifluoromethyl)-1,3-oxazole-4-carbaldehyde
CID 84651999
2-(Difluoromethyl)-1,3-oxazole-4-carbaldehyde
CID 84762976
4-Ethyl-2-(trifluoromethyl)-1,3-oxazole
CID 57674883
4-Propan-2-yl-2-(trifluoromethyl)-1,3-oxazole
CID 57698679
1-[4-(Trifluoromethyl)-1,3-oxazol-2-yl]propan-1-one
CID 68171350
2-(Fluoromethyl)oxazole-4-carbaldehyde
CID 84762241
2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
CID 118298960
2,2,2-Trifluoro-1-(2-methyl-1,3-oxazol-4-yl)ethane-1,1-diol
CID 122677820
2-Tert-butyl-4-(2,2,2-trifluoroethyl)-1,3-oxazole
CID 126550851

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone (CID 84764298) is 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(C(F)F)n1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is AQKWJSGDPRZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2/c1-3(10)4-2-11-6(9-4)5(7)8/h2,5H,1H3.
What are the key properties of 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone?
1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 161.11 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 84764298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).