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

C10H7Cl2FN2O — CID 107989150

IUPAC3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C10H7Cl2FN2O/c1-5(11)9-14-10(16-15-9)6-2-3-7(12)8(13)4-6/h2-5H,1H3
InChIKeyPAHNCTLESUUYME-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.83
Rot. Bonds2

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

3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 107989150) has the molecular formula C10H7Cl2FN2O and a molecular weight of 261.08 g/mol. Its IUPAC name is 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID107989150
Molecular FormulaC10H7Cl2FN2O
Molecular Weight261.08 g/mol
Exact Mass259.99
IUPAC Name3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole
SMILESCC(Cl)c1noc(-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C10H7Cl2FN2O/c1-5(11)9-14-10(16-15-9)6-2-3-7(12)8(13)4-6/h2-5H,1H3
InChIKeyPAHNCTLESUUYME-UHFFFAOYSA-N
XLogP3.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.83
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

5-(4-chloro-2,5-difluorophenyl)-3-(1-chloroethyl)-1,2,4-oxadiazole
CID 102660981
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 82880062
3-(1-chloroethyl)-5-(2,5-difluorophenyl)-1,2,4-oxadiazole
CID 67070739
2-chloro-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28541006
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 84593426
1-[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879923
5-(3-bromo-4-fluorophenyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 82489563
N-[[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 104879940
3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130
1-[5-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634547
2-chloro-5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79614235

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole (CID 107989150) is 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole is CC(Cl)c1noc(-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is PAHNCTLESUUYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2O/c1-5(11)9-14-10(16-15-9)6-2-3-7(12)8(13)4-6/h2-5H,1H3.
What are the key properties of 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole?
3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 261.08 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)-5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 107989150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).