[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol

C11H10BrNO3 — CID 60869592

IUPAC[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1cnoc1
InChIInChI=1S/C11H10BrNO3/c12-10-1-2-11(9(3-10)5-14)15-6-8-4-13-16-7-8/h1-4,7,14H,5-6H2
InChIKeyFWCYNDYUSGGDQU-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.51
Rot. Bonds4

About [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol

[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol (PubChem CID 60869592) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
PubChem CID60869592
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1cnoc1
InChIInChI=1S/C11H10BrNO3/c12-10-1-2-11(9(3-10)5-14)15-6-8-4-13-16-7-8/h1-4,7,14H,5-6H2
InChIKeyFWCYNDYUSGGDQU-UHFFFAOYSA-N
XLogP2.51
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869596
1-[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54928874
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
CID 54910825
4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 2440173
4-[(2-bromophenoxy)methyl]-1,2-oxazole
CID 60871511
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol (CID 60869592) is [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol is OCc1cc(Br)ccc1OCc1cnoc1.
What is the InChIKey of [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
The InChIKey is FWCYNDYUSGGDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c12-10-1-2-11(9(3-10)5-14)15-6-8-4-13-16-7-8/h1-4,7,14H,5-6H2.
What are the key properties of [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol?
[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol has a molecular weight of 284.11 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 60869592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).