5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

C15H10ClFN2O — CID 58559390

IUPAC5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccc(Cl)cc3F)n2)c1
InChIInChI=1S/C15H10ClFN2O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)12-6-5-11(16)8-13(12)17/h2-8H,1H3
InChIKeyIUCZWKHAFAOWPA-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.50
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 58559390) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID58559390
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccc(Cl)cc3F)n2)c1
InChIInChI=1S/C15H10ClFN2O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)12-6-5-11(16)8-13(12)17/h2-8H,1H3
InChIKeyIUCZWKHAFAOWPA-UHFFFAOYSA-N
XLogP4.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 112572126
5-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53022151
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827573
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 58559390) is 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3ccc(Cl)cc3F)n2)c1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IUCZWKHAFAOWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-9-3-2-4-10(7-9)14-18-15(20-19-14)12-6-5-11(16)8-13(12)17/h2-8H,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 288.71 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 58559390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).