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

C14H8BrFN2O2 — CID 106704216

IUPAC3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3cccc(Br)c3F)n2)c1
InChIInChI=1S/C14H8BrFN2O2/c15-11-6-2-5-10(12(11)16)14-17-13(18-20-14)8-3-1-4-9(19)7-8/h1-7,19H
InChIKeyCSDYJHUEFMGOSC-UHFFFAOYSA-N
MW335.13 g/mol
LogP4.01
Rot. Bonds2

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

3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 106704216) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID106704216
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1cccc(-c2noc(-c3cccc(Br)c3F)n2)c1
InChIInChI=1S/C14H8BrFN2O2/c15-11-6-2-5-10(12(11)16)14-17-13(18-20-14)8-3-1-4-9(19)7-8/h1-7,19H
InChIKeyCSDYJHUEFMGOSC-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

3-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 80979825
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120312
3-[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 28942061
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 55152491
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 63022523
4-[5-(3-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136690616
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845255

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 106704216) is 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1cccc(-c2noc(-c3cccc(Br)c3F)n2)c1.
What is the InChIKey of 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is CSDYJHUEFMGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-11-6-2-5-10(12(11)16)14-17-13(18-20-14)8-3-1-4-9(19)7-8/h1-7,19H.
What are the key properties of 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol 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 3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 106704216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).