3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

C15H10ClFN2O2 — CID 82811580

IUPAC3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C15H10ClFN2O2/c1-8-10(3-2-4-13(8)20)15-18-14(19-21-15)11-6-5-9(17)7-12(11)16/h2-7,20H,1H3
InChIKeyQZFHSFLBIWWICB-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.21
Rot. Bonds2

About 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 82811580) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID82811580
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(-c2ccc(F)cc2Cl)no1
InChIInChI=1S/C15H10ClFN2O2/c1-8-10(3-2-4-13(8)20)15-18-14(19-21-15)11-6-5-9(17)7-12(11)16/h2-7,20H,1H3
InChIKeyQZFHSFLBIWWICB-UHFFFAOYSA-N
XLogP4.21
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 62945325
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
3-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 100558702
5-chloro-2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62945327
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 82830253
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79392513
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 82811580) is 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is Cc1c(O)cccc1-c1nc(-c2ccc(F)cc2Cl)no1.
What is the InChIKey of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is QZFHSFLBIWWICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-8-10(3-2-4-13(8)20)15-18-14(19-21-15)11-6-5-9(17)7-12(11)16/h2-7,20H,1H3.
What are the key properties of 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 304.71 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 82811580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).