2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol

C14H8BrFN2O2 — CID 137011333

IUPAC2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C14H8BrFN2O2/c15-9-3-1-2-8(6-9)13-17-14(20-18-13)11-7-10(16)4-5-12(11)19/h1-7,19H
InChIKeyBISLSDMEQRLFPP-UHFFFAOYSA-N
MW335.13 g/mol
LogP4.01
Rot. Bonds2

About 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol

2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol (PubChem CID 137011333) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
PubChem CID137011333
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C14H8BrFN2O2/c15-9-3-1-2-8(6-9)13-17-14(20-18-13)11-7-10(16)4-5-12(11)19/h1-7,19H
InChIKeyBISLSDMEQRLFPP-UHFFFAOYSA-N
XLogP4.01
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
2-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 136715489
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
3-(3-bromophenyl)-5-(furan-2-yl)-1,2,4-oxadiazole
CID 2989048
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The IUPAC name of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol (CID 137011333) is 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol.
What is the SMILES notation for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The canonical SMILES for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol is Oc1ccc(F)cc1-c1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
The InChIKey is BISLSDMEQRLFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-9-3-1-2-8(6-9)13-17-14(20-18-13)11-7-10(16)4-5-12(11)19/h1-7,19H.
What are the key properties of 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol?
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol has a molecular weight of 335.13 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol is sourced from PubChem (CID 137011333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).