2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

C16H10BrFN4O2S — CID 167955044

IUPAC2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(CCc2nc(-c3cc(Br)cs3)no2)o1
InChIInChI=1S/C16H10BrFN4O2S/c17-9-7-12(25-8-9)15-19-13(24-22-15)5-6-14-20-21-16(23-14)10-3-1-2-4-11(10)18/h1-4,7-8H,5-6H2
InChIKeyHEZQBTUAZUKNGU-UHFFFAOYSA-N
MW421.25 g/mol
LogP4.53
Rot. Bonds5

About 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 167955044) has the molecular formula C16H10BrFN4O2S and a molecular weight of 421.25 g/mol. Its IUPAC name is 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID167955044
Molecular FormulaC16H10BrFN4O2S
Molecular Weight421.25 g/mol
Exact Mass419.97
IUPAC Name2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(CCc2nc(-c3cc(Br)cs3)no2)o1
InChIInChI=1S/C16H10BrFN4O2S/c17-9-7-12(25-8-9)15-19-13(24-22-15)5-6-14-20-21-16(23-14)10-3-1-2-4-11(10)18/h1-4,7-8H,5-6H2
InChIKeyHEZQBTUAZUKNGU-UHFFFAOYSA-N
XLogP4.53
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.25
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340288
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136827589
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
CID 79435171
2-[2-[3-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 154838537
1-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862931
1-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868184
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 55923619
3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47321899
2-[5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62069536
3-(4-bromothiophen-2-yl)-5-[(2-chloro-4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 55923867
3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 47321770

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 167955044) is 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(CCc2nc(-c3cc(Br)cs3)no2)o1.
What is the InChIKey of 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is HEZQBTUAZUKNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN4O2S/c17-9-7-12(25-8-9)15-19-13(24-22-15)5-6-14-20-21-16(23-14)10-3-1-2-4-11(10)18/h1-4,7-8H,5-6H2.
What are the key properties of 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 421.25 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 167955044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).