5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C9H4ClF3N2O2 — CID 54883856

IUPAC5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(Cl)n1
InChIInChI=1S/C9H4ClF3N2O2/c10-8-14-7(15-17-8)5-3-1-2-4-6(5)16-9(11,12)13/h1-4H
InChIKeyXMIFBRAHDWXBHW-UHFFFAOYSA-N
MW264.59 g/mol
LogP3.29
Rot. Bonds2

About 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 54883856) has the molecular formula C9H4ClF3N2O2 and a molecular weight of 264.59 g/mol. Its IUPAC name is 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID54883856
Molecular FormulaC9H4ClF3N2O2
Molecular Weight264.59 g/mol
Exact Mass263.99
IUPAC Name5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(Cl)n1
InChIInChI=1S/C9H4ClF3N2O2/c10-8-14-7(15-17-8)5-3-1-2-4-6(5)16-9(11,12)13/h1-4H
InChIKeyXMIFBRAHDWXBHW-UHFFFAOYSA-N
XLogP3.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 175481308
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5-[3-methoxy-4-(4-methylthiophen-3-yl)phenyl]-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 25256657
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole
CID 137332624
tert-butyl N-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 170553351
tert-butyl (3R)-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]butanoate
CID 152900429
4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 61000690
N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-sulfonamide
CID 166213354
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 54883856) is 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccccc1-c1noc(Cl)n1.
What is the InChIKey of 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is XMIFBRAHDWXBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O2/c10-8-14-7(15-17-8)5-3-1-2-4-6(5)16-9(11,12)13/h1-4H.
What are the key properties of 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 264.59 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54883856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).