2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol

C9H7BrN2O2 — CID 117390307

IUPAC2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
SMILESNc1oncc1-c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrN2O2/c10-5-1-2-8(13)6(3-5)7-4-12-14-9(7)11/h1-4,13H,11H2
InChIKeyRHULJVPJKJAAPF-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.39
Rot. Bonds1

About 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol

2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol (PubChem CID 117390307) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
PubChem CID117390307
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol
SMILESNc1oncc1-c1cc(Br)ccc1O
InChIInChI=1S/C9H7BrN2O2/c10-5-1-2-8(13)6(3-5)7-4-12-14-9(7)11/h1-4,13H,11H2
InChIKeyRHULJVPJKJAAPF-UHFFFAOYSA-N
XLogP2.39
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
CID 117490329
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
6-(5-amino-1,2-oxazol-4-yl)-2,3-dihydro-1H-inden-5-ol
CID 117308042
4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
CID 117299784
4-(5-amino-1,2-oxazol-4-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117332534
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-3-fluorophenol
CID 117329312
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-(2-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117395502
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
CID 117321279

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol (CID 117390307) is 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol is Nc1oncc1-c1cc(Br)ccc1O.
What is the InChIKey of 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol?
The InChIKey is RHULJVPJKJAAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-5-1-2-8(13)6(3-5)7-4-12-14-9(7)11/h1-4,13H,11H2.
What are the key properties of 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol?
2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol has a molecular weight of 255.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-4-yl)-4-bromophenol is sourced from PubChem (CID 117390307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).