4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C12H7BrN2O3S — CID 136827936

IUPAC4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc(-c3ccc(Br)s3)no2)c(O)c1
InChIInChI=1S/C12H7BrN2O3S/c13-10-4-3-9(19-10)11-14-12(18-15-11)7-2-1-6(16)5-8(7)17/h1-5,16-17H
InChIKeyUWKBBJYQTHEGKP-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.64
Rot. Bonds2

About 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 136827936) has the molecular formula C12H7BrN2O3S and a molecular weight of 339.17 g/mol. Its IUPAC name is 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID136827936
Molecular FormulaC12H7BrN2O3S
Molecular Weight339.17 g/mol
Exact Mass337.94
IUPAC Name4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nc(-c3ccc(Br)s3)no2)c(O)c1
InChIInChI=1S/C12H7BrN2O3S/c13-10-4-3-9(19-10)11-14-12(18-15-11)7-2-1-6(16)5-8(7)17/h1-5,16-17H
InChIKeyUWKBBJYQTHEGKP-UHFFFAOYSA-N
XLogP3.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136827589
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904254
4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136903992
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904136
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904172
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904174

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 136827936) is 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is Oc1ccc(-c2nc(-c3ccc(Br)s3)no2)c(O)c1.
What is the InChIKey of 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is UWKBBJYQTHEGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3S/c13-10-4-3-9(19-10)11-14-12(18-15-11)7-2-1-6(16)5-8(7)17/h1-5,16-17H.
What are the key properties of 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 339.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 136827936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).