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

C12H7BrN2O3 — CID 136673921

IUPAC4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccoc3Br)n2)cc1
InChIInChI=1S/C12H7BrN2O3/c13-10-9(5-6-17-10)12-14-11(15-18-12)7-1-3-8(16)4-2-7/h1-6,16H
InChIKeyQDNWNJZERVHPIS-UHFFFAOYSA-N
MW307.10 g/mol
LogP3.46
Rot. Bonds2

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

4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136673921) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136673921
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccoc3Br)n2)cc1
InChIInChI=1S/C12H7BrN2O3/c13-10-9(5-6-17-10)12-14-11(15-18-12)7-1-3-8(16)4-2-7/h1-6,16H
InChIKeyQDNWNJZERVHPIS-UHFFFAOYSA-N
XLogP3.46
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 106855007
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136716235
4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136690616
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 106854843
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
4-[5-(2-methylfuran-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 61339932
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775
4-chloro-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503297

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 136673921) is 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(-c3ccoc3Br)n2)cc1.
What is the InChIKey of 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is QDNWNJZERVHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-10-9(5-6-17-10)12-14-11(15-18-12)7-1-3-8(16)4-2-7/h1-6,16H.
What are the key properties of 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 307.10 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136673921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).