4-(3,5-difluorophenoxy)-1,3-oxazole

C9H5F2NO2 — CID 91804793

IUPAC4-(3,5-difluorophenoxy)-1,3-oxazole
SMILESFc1cc(F)cc(Oc2cocn2)c1
InChIInChI=1S/C9H5F2NO2/c10-6-1-7(11)3-8(2-6)14-9-4-13-5-12-9/h1-5H
InChIKeyIKJMZROAQBBMGK-UHFFFAOYSA-N
MW197.14 g/mol
LogP2.75
Rot. Bonds2

About 4-(3,5-difluorophenoxy)-1,3-oxazole

4-(3,5-difluorophenoxy)-1,3-oxazole (PubChem CID 91804793) has the molecular formula C9H5F2NO2 and a molecular weight of 197.14 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-1,3-oxazole.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-1,3-oxazole
PubChem CID91804793
Molecular FormulaC9H5F2NO2
Molecular Weight197.14 g/mol
Exact Mass197.03
IUPAC Name4-(3,5-difluorophenoxy)-1,3-oxazole
SMILESFc1cc(F)cc(Oc2cocn2)c1
InChIInChI=1S/C9H5F2NO2/c10-6-1-7(11)3-8(2-6)14-9-4-13-5-12-9/h1-5H
InChIKeyIKJMZROAQBBMGK-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 4-(3,5-difluorophenoxy)-1,3-oxazole?
The IUPAC name of 4-(3,5-difluorophenoxy)-1,3-oxazole (CID 91804793) is 4-(3,5-difluorophenoxy)-1,3-oxazole.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-1,3-oxazole?
The canonical SMILES for 4-(3,5-difluorophenoxy)-1,3-oxazole is Fc1cc(F)cc(Oc2cocn2)c1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-1,3-oxazole?
The InChIKey is IKJMZROAQBBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2/c10-6-1-7(11)3-8(2-6)14-9-4-13-5-12-9/h1-5H.
What are the key properties of 4-(3,5-difluorophenoxy)-1,3-oxazole?
4-(3,5-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 4-(3,5-difluorophenoxy)-1,3-oxazole is sourced from PubChem (CID 91804793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).