1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone

C6H5F2NO3 — CID 156895455

IUPAC1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1cc(OC(F)F)no1
InChIInChI=1S/C6H5F2NO3/c1-3(10)4-2-5(9-12-4)11-6(7)8/h2,6H,1H3
InChIKeyHAOONCHEVCALDQ-UHFFFAOYSA-N
MW177.11 g/mol
LogP1.48
Rot. Bonds3

About 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone

1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone (PubChem CID 156895455) has the molecular formula C6H5F2NO3 and a molecular weight of 177.11 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone
PubChem CID156895455
Molecular FormulaC6H5F2NO3
Molecular Weight177.11 g/mol
Exact Mass177.02
IUPAC Name1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone
SMILESCC(=O)c1cc(OC(F)F)no1
InChIInChI=1S/C6H5F2NO3/c1-3(10)4-2-5(9-12-4)11-6(7)8/h2,6H,1H3
InChIKeyHAOONCHEVCALDQ-UHFFFAOYSA-N
XLogP1.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone (CID 156895455) is 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone is CC(=O)c1cc(OC(F)F)no1.
What is the InChIKey of 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone?
The InChIKey is HAOONCHEVCALDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3/c1-3(10)4-2-5(9-12-4)11-6(7)8/h2,6H,1H3.
What are the key properties of 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone?
1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone has a molecular weight of 177.11 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 156895455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).