3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole

C9H6F2N2O2 — CID 54772385

IUPAC3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2ncon2)cc1
InChIInChI=1S/C9H6F2N2O2/c10-9(11)15-7-3-1-6(2-4-7)8-12-5-14-13-8/h1-5,9H
InChIKeyDAPRKWYVIXJQPV-UHFFFAOYSA-N
MW212.16 g/mol
LogP2.34
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole

3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 54772385) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID54772385
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2ncon2)cc1
InChIInChI=1S/C9H6F2N2O2/c10-9(11)15-7-3-1-6(2-4-7)8-12-5-14-13-8/h1-5,9H
InChIKeyDAPRKWYVIXJQPV-UHFFFAOYSA-N
XLogP2.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 6462339
5-Ethenyl-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 14435829
3-(4-(4-(Trifluoromethyl)phenoxy)phenyl)-5-methyl-1,2,4-oxadiazole
CID 59533946
3-(4-Methoxyphenyl)-N-(propan-2-YL)-1,2,4-oxadiazol-5-amine
CID 50793956
3-(4-Methoxyphenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,2,4-oxadiazole
CID 85967695
5-Chloro-3-(4-cyclopentyloxyphenyl)-1,2,4-oxadiazole
CID 171520169
3-(4-Methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 20669011
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 23184365
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenyl 1,3-oxazinane-3-carboxylate
CID 165774225
5-(3-Fluoro-2,3-dimethylbutan-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 15526324
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 139234283
5-[Fluoro(dinitro)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 175672848

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 54772385) is 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)Oc1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is DAPRKWYVIXJQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c10-9(11)15-7-3-1-6(2-4-7)8-12-5-14-13-8/h1-5,9H.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole?
3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 212.16 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54772385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).