4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde

C10H6BrNO3 — CID 84711961

IUPAC4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1onc(-c2cccc(O)c2)c1Br
InChIInChI=1S/C10H6BrNO3/c11-9-8(5-13)15-12-10(9)6-2-1-3-7(14)4-6/h1-5,14H
InChIKeyJLHWLOFFDVYQHC-UHFFFAOYSA-N
MW268.07 g/mol
LogP2.62
Rot. Bonds2

About 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde

4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde (PubChem CID 84711961) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde
PubChem CID84711961
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1onc(-c2cccc(O)c2)c1Br
InChIInChI=1S/C10H6BrNO3/c11-9-8(5-13)15-12-10(9)6-2-1-3-7(14)4-6/h1-5,14H
InChIKeyJLHWLOFFDVYQHC-UHFFFAOYSA-N
XLogP2.62
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethyl-5-phenyl-1,2-oxazol-3-yl)phenol
CID 90029446
2-bromo-5-(3-hydroxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 84715258
4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 84687952
3-(5-chloro-1,2-oxazol-3-yl)phenol
CID 84666521
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196
4-hydroxy-3-(3-hydroxyphenyl)benzaldehyde
CID 115028639
2-chloro-5-(3-hydroxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 84688770
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82802431
1-(3-hydroxyphenyl)isoquinoline-7-carbaldehyde
CID 169292309
4-bromo-3-(3-hydroxyphenyl)benzoic acid
CID 115053012
3-(3-hydroxyphenyl)-4-methylbenzaldehyde
CID 39231630
3-(3-amino-4-methyl-1,2-oxazol-5-yl)phenol
CID 105444092

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde (CID 84711961) is 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde is O=Cc1onc(-c2cccc(O)c2)c1Br.
What is the InChIKey of 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde?
The InChIKey is JLHWLOFFDVYQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-9-8(5-13)15-12-10(9)6-2-1-3-7(14)4-6/h1-5,14H.
What are the key properties of 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde?
4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde has a molecular weight of 268.07 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-hydroxyphenyl)-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 84711961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).