3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole

C21H13F3N2O2 — CID 83289211

IUPAC3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(F)c(COc2ccc(-c3noc(-c4ccccc4F)n3)cc2)c1
InChIInChI=1S/C21H13F3N2O2/c22-15-7-10-18(23)14(11-15)12-27-16-8-5-13(6-9-16)20-25-21(28-26-20)17-3-1-2-4-19(17)24/h1-11H,12H2
InChIKeyRQXLITCHTNHWPS-UHFFFAOYSA-N
MW382.34 g/mol
LogP5.40
Rot. Bonds5

About 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole

3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 83289211) has the molecular formula C21H13F3N2O2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID83289211
Molecular FormulaC21H13F3N2O2
Molecular Weight382.34 g/mol
Exact Mass382.09
IUPAC Name3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(F)c(COc2ccc(-c3noc(-c4ccccc4F)n3)cc2)c1
InChIInChI=1S/C21H13F3N2O2/c22-15-7-10-18(23)14(11-15)12-27-16-8-5-13(6-9-16)20-25-21(28-26-20)17-3-1-2-4-19(17)24/h1-11H,12H2
InChIKeyRQXLITCHTNHWPS-UHFFFAOYSA-N
XLogP5.40
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
5-(4-chlorophenyl)-3-[4-[(3-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42851419
3-[4-[(3-fluorophenyl)methoxy]phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 46044104
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
N-[(2,5-difluorophenyl)methyl]-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238248
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
1-(2,5-dimethoxyphenyl)-2-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]ethanone
CID 46052907
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole (CID 83289211) is 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole is Fc1ccc(F)c(COc2ccc(-c3noc(-c4ccccc4F)n3)cc2)c1.
What is the InChIKey of 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is RQXLITCHTNHWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2/c22-15-7-10-18(23)14(11-15)12-27-16-8-5-13(6-9-16)20-25-21(28-26-20)17-3-1-2-4-19(17)24/h1-11H,12H2.
What are the key properties of 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole?
3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 382.34 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-difluorophenyl)methoxy]phenyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 83289211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).