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

C11H9Cl2FN2O — CID 62945973

IUPAC3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCCCl)n2)c(Cl)c1
InChIInChI=1S/C11H9Cl2FN2O/c12-5-1-2-10-15-11(16-17-10)8-4-3-7(14)6-9(8)13/h3-4,6H,1-2,5H2
InChIKeyVWFSYDYHBBXKLR-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.70
Rot. Bonds4

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

3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole (PubChem CID 62945973) has the molecular formula C11H9Cl2FN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
PubChem CID62945973
Molecular FormulaC11H9Cl2FN2O
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(CCCCl)n2)c(Cl)c1
InChIInChI=1S/C11H9Cl2FN2O/c12-5-1-2-10-15-11(16-17-10)8-4-3-7(14)6-9(8)13/h3-4,6H,1-2,5H2
InChIKeyVWFSYDYHBBXKLR-UHFFFAOYSA-N
XLogP3.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62944820
5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847241
5-but-3-ynyl-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 121002827
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350438
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
3-(3-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 63092416
4-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845942
5-(2-chloro-4-fluorophenyl)-2-(3-chloropropyl)-1,3-oxazole
CID 65179612
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349225
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63350302
N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757774
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63350300

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole (CID 62945973) is 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(CCCCl)n2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
The InChIKey is VWFSYDYHBBXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2O/c12-5-1-2-10-15-11(16-17-10)8-4-3-7(14)6-9(8)13/h3-4,6H,1-2,5H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole?
3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole has a molecular weight of 275.11 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62945973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).