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

C12H7BrN2O3 — CID 107037339

IUPAC2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(-c2nc(-c3ccoc3)no2)ccc1Br
InChIInChI=1S/C12H7BrN2O3/c13-9-2-1-7(5-10(9)16)12-14-11(15-18-12)8-3-4-17-6-8/h1-6,16H
InChIKeyDFPIIYPJHUMMCT-UHFFFAOYSA-N
MW307.10 g/mol
LogP3.46
Rot. Bonds2

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

2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 107037339) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID107037339
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(-c2nc(-c3ccoc3)no2)ccc1Br
InChIInChI=1S/C12H7BrN2O3/c13-9-2-1-7(5-10(9)16)12-14-11(15-18-12)8-3-4-17-6-8/h1-6,16H
InChIKeyDFPIIYPJHUMMCT-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

2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985
6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
CID 65348489
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938518
2-bromo-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 104938437
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 175178675
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904405
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 107037339) is 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cc(-c2nc(-c3ccoc3)no2)ccc1Br.
What is the InChIKey of 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is DFPIIYPJHUMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-9-2-1-7(5-10(9)16)12-14-11(15-18-12)8-3-4-17-6-8/h1-6,16H.
What are the key properties of 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-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 2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 107037339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).