5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C16H11Cl2FN2O2 — CID 71212790

IUPAC5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H11Cl2FN2O2/c1-9(22-14-7-4-11(17)8-13(14)18)16-20-15(21-23-16)10-2-5-12(19)6-3-10/h2-9H,1H3
InChIKeyGVLXJVRUDIJSQP-UHFFFAOYSA-N
MW353.18 g/mol
LogP5.32
Rot. Bonds4

About 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 71212790) has the molecular formula C16H11Cl2FN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID71212790
Molecular FormulaC16H11Cl2FN2O2
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC Name5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C16H11Cl2FN2O2/c1-9(22-14-7-4-11(17)8-13(14)18)16-20-15(21-23-16)10-2-5-12(19)6-3-10/h2-9H,1H3
InChIKeyGVLXJVRUDIJSQP-UHFFFAOYSA-N
XLogP5.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.18
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 7321005
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
5-[1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 2912632
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895376
N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
CID 2202607
N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
CID 2952777
N-[4-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 2951958
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
2-(2,4-dichlorophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 49179679
5-[(1R)-1-(4-bromophenoxy)ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1294361
1-[5-[1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861132

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 71212790) is 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is GVLXJVRUDIJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2/c1-9(22-14-7-4-11(17)8-13(14)18)16-20-15(21-23-16)10-2-5-12(19)6-3-10/h2-9H,1H3.
What are the key properties of 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 353.18 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71212790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).