5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole

C14H7BrClFN2O — CID 52942224

IUPAC5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1-c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H7BrClFN2O/c15-9-6-4-8(5-7-9)14-18-13(19-20-14)12-10(16)2-1-3-11(12)17/h1-7H
InChIKeyUCCZIAXJSCUQQC-UHFFFAOYSA-N
MW353.58 g/mol
LogP4.96
Rot. Bonds2

About 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole

5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 52942224) has the molecular formula C14H7BrClFN2O and a molecular weight of 353.58 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole
PubChem CID52942224
Molecular FormulaC14H7BrClFN2O
Molecular Weight353.58 g/mol
Exact Mass351.94
IUPAC Name5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1-c1noc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H7BrClFN2O/c15-9-6-4-8(5-7-9)14-18-13(19-20-14)12-10(16)2-1-3-11(12)17/h1-7H
InChIKeyUCCZIAXJSCUQQC-UHFFFAOYSA-N
XLogP4.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole (CID 52942224) is 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole is Fc1cccc(Cl)c1-c1noc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is UCCZIAXJSCUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClFN2O/c15-9-6-4-8(5-7-9)14-18-13(19-20-14)12-10(16)2-1-3-11(12)17/h1-7H.
What are the key properties of 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole?
5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 353.58 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 52942224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).