5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole

C15H9Cl2FN2O2 — CID 42692313

IUPAC5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESFc1ccccc1OCc1noc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H9Cl2FN2O2/c16-9-5-6-10(11(17)7-9)15-19-14(20-22-15)8-21-13-4-2-1-3-12(13)18/h1-7H,8H2
InChIKeyDYVUKSPKUFBFME-UHFFFAOYSA-N
MW339.15 g/mol
LogP4.76
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole

5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 42692313) has the molecular formula C15H9Cl2FN2O2 and a molecular weight of 339.15 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID42692313
Molecular FormulaC15H9Cl2FN2O2
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC Name5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESFc1ccccc1OCc1noc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H9Cl2FN2O2/c16-9-5-6-10(11(17)7-9)15-19-14(20-22-15)8-21-13-4-2-1-3-12(13)18/h1-7H,8H2
InChIKeyDYVUKSPKUFBFME-UHFFFAOYSA-N
XLogP4.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46171762
5-(2,4-dichlorophenyl)-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692306
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
CID 42692318
3-[(2-fluoro-5-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42692342
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692446
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326218
2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 42788974
3-[(4-fluoro-2-methylphenoxy)methyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 42880227
3-[(4-fluoro-3-methylphenoxy)methyl]-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 42880230

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole (CID 42692313) is 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole is Fc1ccccc1OCc1noc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is DYVUKSPKUFBFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2/c16-9-5-6-10(11(17)7-9)15-19-14(20-22-15)8-21-13-4-2-1-3-12(13)18/h1-7H,8H2.
What are the key properties of 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole?
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 339.15 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42692313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).