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

C8H3Cl2FN2O — CID 112572126

IUPAC3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cc(Cl)ccc1-c1nc(Cl)no1
InChIInChI=1S/C8H3Cl2FN2O/c9-4-1-2-5(6(11)3-4)7-12-8(10)13-14-7/h1-3H
InChIKeySLDDSJARWOBMER-UHFFFAOYSA-N
MW233.03 g/mol
LogP3.18
Rot. Bonds1

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

3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 112572126) has the molecular formula C8H3Cl2FN2O and a molecular weight of 233.03 g/mol. Its IUPAC name is 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID112572126
Molecular FormulaC8H3Cl2FN2O
Molecular Weight233.03 g/mol
Exact Mass231.96
IUPAC Name3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cc(Cl)ccc1-c1nc(Cl)no1
InChIInChI=1S/C8H3Cl2FN2O/c9-4-1-2-5(6(11)3-4)7-12-8(10)13-14-7/h1-3H
InChIKeySLDDSJARWOBMER-UHFFFAOYSA-N
XLogP3.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 130536150
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 58559390
5-(2-bromo-5-fluorophenyl)-3-chloro-1,2,4-oxadiazole
CID 112571851
1-[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635157
5-(4-bromo-2-methylphenyl)-3-chloro-1,2,4-oxadiazole
CID 112571812
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120179
3-(4-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 1372272
3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130
5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 107992789
2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
CID 86810427
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole (CID 112572126) is 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole is Fc1cc(Cl)ccc1-c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is SLDDSJARWOBMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2O/c9-4-1-2-5(6(11)3-4)7-12-8(10)13-14-7/h1-3H.
What are the key properties of 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole?
3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 233.03 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 112572126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).