3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol

C9H6BrNO3 — CID 117188907

IUPAC3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol
SMILESOc1cccc(Oc2nc(Br)co2)c1
InChIInChI=1S/C9H6BrNO3/c10-8-5-13-9(11-8)14-7-3-1-2-6(12)4-7/h1-5,12H
InChIKeyIMBWOAFWCWKUNV-UHFFFAOYSA-N
MW256.06 g/mol
LogP2.93
Rot. Bonds2

About 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol

3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol (PubChem CID 117188907) has the molecular formula C9H6BrNO3 and a molecular weight of 256.06 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol.

Molecular Properties

Compound Name3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol
PubChem CID117188907
Molecular FormulaC9H6BrNO3
Molecular Weight256.06 g/mol
Exact Mass254.95
IUPAC Name3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol
SMILESOc1cccc(Oc2nc(Br)co2)c1
InChIInChI=1S/C9H6BrNO3/c10-8-5-13-9(11-8)14-7-3-1-2-6(12)4-7/h1-5,12H
InChIKeyIMBWOAFWCWKUNV-UHFFFAOYSA-N
XLogP2.93
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole
CID 117188908
3-[(4-bromo-1,3-oxazol-2-yl)methoxy]phenol
CID 117186731
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
[2-(3-fluorophenoxy)-1,3-oxazol-4-yl]methanol
CID 45157027
3-[(2,3,5,6-tetrachloro-4-pyridinyl)oxy]phenol
CID 86257010
5-(3-hydroxyphenyl)peroxybenzene-1,3-diol
CID 139520139
3-phenylperoxyphenol
CID 87446766
3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
CID 117190479
3-[4-[[4-(3-hydroxyphenoxy)phenyl]methyl]phenoxy]phenol
CID 153483727
3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
3-[2-(2-aminoethyl)pyrimidin-5-yl]oxyphenol
CID 115038185
sodium 3-methoxyphenol
CID 19079440

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol?
The IUPAC name of 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol (CID 117188907) is 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol.
What is the SMILES notation for 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol?
The canonical SMILES for 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol is Oc1cccc(Oc2nc(Br)co2)c1.
What is the InChIKey of 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol?
The InChIKey is IMBWOAFWCWKUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO3/c10-8-5-13-9(11-8)14-7-3-1-2-6(12)4-7/h1-5,12H.
What are the key properties of 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol?
3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol has a molecular weight of 256.06 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-oxazol-2-yl)oxy]phenol is sourced from PubChem (CID 117188907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).