2-(3,4-difluorophenoxy)-1,3-oxazole

C9H5F2NO2 — CID 90945120

IUPAC2-(3,4-difluorophenoxy)-1,3-oxazole
SMILESFc1ccc(Oc2ncco2)cc1F
InChIInChI=1S/C9H5F2NO2/c10-7-2-1-6(5-8(7)11)14-9-12-3-4-13-9/h1-5H
InChIKeyWYPXNRCEVVMVLM-UHFFFAOYSA-N
MW197.14 g/mol
LogP2.75
Rot. Bonds2

About 2-(3,4-difluorophenoxy)-1,3-oxazole

2-(3,4-difluorophenoxy)-1,3-oxazole (PubChem CID 90945120) has the molecular formula C9H5F2NO2 and a molecular weight of 197.14 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-1,3-oxazole
PubChem CID90945120
Molecular FormulaC9H5F2NO2
Molecular Weight197.14 g/mol
Exact Mass197.03
IUPAC Name2-(3,4-difluorophenoxy)-1,3-oxazole
SMILESFc1ccc(Oc2ncco2)cc1F
InChIInChI=1S/C9H5F2NO2/c10-7-2-1-6(5-8(7)11)14-9-12-3-4-13-9/h1-5H
InChIKeyWYPXNRCEVVMVLM-UHFFFAOYSA-N
XLogP2.75
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-1,3-oxazole?
The IUPAC name of 2-(3,4-difluorophenoxy)-1,3-oxazole (CID 90945120) is 2-(3,4-difluorophenoxy)-1,3-oxazole.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-1,3-oxazole?
The canonical SMILES for 2-(3,4-difluorophenoxy)-1,3-oxazole is Fc1ccc(Oc2ncco2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenoxy)-1,3-oxazole?
The InChIKey is WYPXNRCEVVMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2/c10-7-2-1-6(5-8(7)11)14-9-12-3-4-13-9/h1-5H.
What are the key properties of 2-(3,4-difluorophenoxy)-1,3-oxazole?
2-(3,4-difluorophenoxy)-1,3-oxazole has a molecular weight of 197.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-1,3-oxazole is sourced from PubChem (CID 90945120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).