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

C8H3BrClFN2O — CID 107952886

IUPAC2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cl)o2)cc1Br
InChIInChI=1S/C8H3BrClFN2O/c9-5-3-4(1-2-6(5)11)7-12-13-8(10)14-7/h1-3H
InChIKeyLROACZGRIMWVDR-UHFFFAOYSA-N
MW277.48 g/mol
LogP3.29
Rot. Bonds1

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

2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole (PubChem CID 107952886) has the molecular formula C8H3BrClFN2O and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
PubChem CID107952886
Molecular FormulaC8H3BrClFN2O
Molecular Weight277.48 g/mol
Exact Mass275.91
IUPAC Name2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(Cl)o2)cc1Br
InChIInChI=1S/C8H3BrClFN2O/c9-5-3-4(1-2-6(5)11)7-12-13-8(10)14-7/h1-3H
InChIKeyLROACZGRIMWVDR-UHFFFAOYSA-N
XLogP3.29
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 107952621
5-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 107953342
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107952642
2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071467
7-bromo-11-oxa-3,4-diazatricyclo[4.2.2.12,5]undeca-1(8),2,4,6,9-pentaene
CID 70522554
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 114770928
2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole
CID 130767613
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82788167
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82789550
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole (CID 107952886) is 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole is Fc1ccc(-c2nnc(Cl)o2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole?
The InChIKey is LROACZGRIMWVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2O/c9-5-3-4(1-2-6(5)11)7-12-13-8(10)14-7/h1-3H.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole?
2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole has a molecular weight of 277.48 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole is sourced from PubChem (CID 107952886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).