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

C8H7BrN2O2S — CID 115078694

IUPAC2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(-c2ccc(Br)s2)n1
InChIInChI=1S/C8H7BrN2O2S/c9-6-2-1-5(14-6)8-10-7(3-4-12)11-13-8/h1-2,12H,3-4H2
InChIKeyITTWOVTXZQCLQP-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.10
Rot. Bonds3

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

2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 115078694) has the molecular formula C8H7BrN2O2S and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID115078694
Molecular FormulaC8H7BrN2O2S
Molecular Weight275.13 g/mol
Exact Mass273.94
IUPAC Name2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESOCCc1noc(-c2ccc(Br)s2)n1
InChIInChI=1S/C8H7BrN2O2S/c9-6-2-1-5(14-6)8-10-7(3-4-12)11-13-8/h1-2,12H,3-4H2
InChIKeyITTWOVTXZQCLQP-UHFFFAOYSA-N
XLogP2.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132
5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706952
4-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106526858
2-[5-(7-bromo-1-benzothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 167983224
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078709
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136712503
5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734562
2-[5-[2-(methylamino)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827116
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653412
2-[5-(2-amino-4,5-dimethylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826974
1-[5-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867640
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62472715

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 115078694) is 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is OCCc1noc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is ITTWOVTXZQCLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2S/c9-6-2-1-5(14-6)8-10-7(3-4-12)11-13-8/h1-2,12H,3-4H2.
What are the key properties of 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 275.13 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 115078694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).