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

C8H3Cl2FN2O — CID 107996197

IUPAC2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(Cl)o2)ccc1Cl
InChIInChI=1S/C8H3Cl2FN2O/c9-5-2-1-4(3-6(5)11)7-12-13-8(10)14-7/h1-3H
InChIKeyGYOGXEKGZMFESL-UHFFFAOYSA-N
MW233.03 g/mol
LogP3.18
Rot. Bonds1

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

2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 107996197) has the molecular formula C8H3Cl2FN2O and a molecular weight of 233.03 g/mol. Its IUPAC name is 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID107996197
Molecular FormulaC8H3Cl2FN2O
Molecular Weight233.03 g/mol
Exact Mass231.96
IUPAC Name2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(Cl)o2)ccc1Cl
InChIInChI=1S/C8H3Cl2FN2O/c9-5-2-1-4(3-6(5)11)7-12-13-8(10)14-7/h1-3H
InChIKeyGYOGXEKGZMFESL-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

2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
CID 107952886
N-[3-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]-2-methylpropan-2-amine
CID 107993073
2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 114770928
4-[5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 175803770
5-(3-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619602
4-chloro-3-fluoro-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 99583468
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871
4-(4-chloro-3-fluorophenyl)aniline
CID 3265089
4-chloro-3-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 62132332
2-(3-chloropropyl)-5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazole
CID 63209997
5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 84593426

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole (CID 107996197) is 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole is Fc1cc(-c2nnc(Cl)o2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is GYOGXEKGZMFESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FN2O/c9-5-2-1-4(3-6(5)11)7-12-13-8(10)14-7/h1-3H.
What are the key properties of 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole?
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-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 2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 107996197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).