5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole

C10H6Cl2F2N2O — CID 102660981

IUPAC5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2cc(F)c(Cl)cc2F)n1
InChIInChI=1S/C10H6Cl2F2N2O/c1-4(11)9-15-10(17-16-9)5-2-8(14)6(12)3-7(5)13/h2-4H,1H3
InChIKeyXZJVWZXZEMPLIO-UHFFFAOYSA-N
MW279.07 g/mol
LogP3.97
Rot. Bonds2

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

5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole (PubChem CID 102660981) has the molecular formula C10H6Cl2F2N2O and a molecular weight of 279.07 g/mol. Its IUPAC name is 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole
PubChem CID102660981
Molecular FormulaC10H6Cl2F2N2O
Molecular Weight279.07 g/mol
Exact Mass277.98
IUPAC Name5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2cc(F)c(Cl)cc2F)n1
InChIInChI=1S/C10H6Cl2F2N2O/c1-4(11)9-15-10(17-16-9)5-2-8(14)6(12)3-7(5)13/h2-4H,1H3
InChIKeyXZJVWZXZEMPLIO-UHFFFAOYSA-N
XLogP3.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.07
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(1-chloroethyl)-5-(2,5-difluorophenyl)-1,2,4-oxadiazole
CID 67070739
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
CID 107989150
3-(1-chloroethyl)-5-(2-chlorofuran-3-yl)-1,2,4-oxadiazole
CID 106688117
2-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82773184
3-[5-(4-chloro-2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 82772686
3-(1-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 102660898
3-(1-chloroethyl)-5-(2,4-dibromophenyl)-1,2,4-oxadiazole
CID 107939307
3-[(1S)-1-chloroethyl]-5-(2-chloro-3-methylphenyl)-1,2,4-oxadiazole
CID 68614441
1-[5-(2,4-difluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096111
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
4-fluoro-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 60836239

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole (CID 102660981) is 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole is CC(Cl)c1noc(-c2cc(F)c(Cl)cc2F)n1.
What is the InChIKey of 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
The InChIKey is XZJVWZXZEMPLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N2O/c1-4(11)9-15-10(17-16-9)5-2-8(14)6(12)3-7(5)13/h2-4H,1H3.
What are the key properties of 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole?
5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole has a molecular weight of 279.07 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 102660981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).