[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol

C7H5BrN2O3 — CID 106854843

IUPAC[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccoc2Br)n1
InChIInChI=1S/C7H5BrN2O3/c8-6-4(1-2-12-6)7-9-5(3-11)10-13-7/h1-2,11H,3H2
InChIKeyUNTCSUJMONYLLC-UHFFFAOYSA-N
MW245.03 g/mol
LogP1.58
Rot. Bonds2

About [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol

[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 106854843) has the molecular formula C7H5BrN2O3 and a molecular weight of 245.03 g/mol. Its IUPAC name is [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID106854843
Molecular FormulaC7H5BrN2O3
Molecular Weight245.03 g/mol
Exact Mass243.95
IUPAC Name[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccoc2Br)n1
InChIInChI=1S/C7H5BrN2O3/c8-6-4(1-2-12-6)7-9-5(3-11)10-13-7/h1-2,11H,3H2
InChIKeyUNTCSUJMONYLLC-UHFFFAOYSA-N
XLogP1.58
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 106855863
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660504
[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660255
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102660418
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 106855007
(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102922045
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660254
[5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 136817942

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 106854843) is [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2ccoc2Br)n1.
What is the InChIKey of [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is UNTCSUJMONYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O3/c8-6-4(1-2-12-6)7-9-5(3-11)10-13-7/h1-2,11H,3H2.
What are the key properties of [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 245.03 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 106854843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).