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

C14H8BrFN2O2 — CID 82802431

IUPAC3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc(F)c(Br)c3)no2)c1
InChIInChI=1S/C14H8BrFN2O2/c15-11-7-8(4-5-12(11)16)13-17-14(20-18-13)9-2-1-3-10(19)6-9/h1-7,19H
InChIKeyXTOGHDUHUFCREU-UHFFFAOYSA-N
MW335.13 g/mol
LogP4.01
Rot. Bonds2

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

3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 82802431) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID82802431
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(-c3ccc(F)c(Br)c3)no2)c1
InChIInChI=1S/C14H8BrFN2O2/c15-11-7-8(4-5-12(11)16)13-17-14(20-18-13)9-2-1-3-10(19)6-9/h1-7,19H
InChIKeyXTOGHDUHUFCREU-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

2-fluoro-4-[5-(3-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136871097
3-[5-(3-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 106704216
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 82788339
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 82810045
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82788167
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82789550
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
[5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 82809820

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 82802431) is 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cccc(-c2nc(-c3ccc(F)c(Br)c3)no2)c1.
What is the InChIKey of 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is XTOGHDUHUFCREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-11-7-8(4-5-12(11)16)13-17-14(20-18-13)9-2-1-3-10(19)6-9/h1-7,19H.
What are the key properties of 3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-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-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 82802431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).