2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol

C9H6BrFN2O2 — CID 136932435

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
SMILESNc1cc(-c2c(O)ccc(Br)c2F)on1
InChIInChI=1S/C9H6BrFN2O2/c10-4-1-2-5(14)8(9(4)11)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13)
InChIKeyXOIIVEPMASEYDB-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.53
Rot. Bonds1

About 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol (PubChem CID 136932435) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
PubChem CID136932435
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
SMILESNc1cc(-c2c(O)ccc(Br)c2F)on1
InChIInChI=1S/C9H6BrFN2O2/c10-4-1-2-5(14)8(9(4)11)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13)
InChIKeyXOIIVEPMASEYDB-UHFFFAOYSA-N
XLogP2.53
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
CID 137013055
1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
CID 136928596
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
3-(3-amino-1,2-oxazol-5-yl)-5-chloro-4-fluorobenzene-1,2-diol
CID 137011505
1-(3-amino-1,2-oxazol-5-yl)naphthalene-2,7-diol
CID 136952337
5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117439355
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
CID 117454901
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
CID 137015300
4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol
CID 136968513

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol (CID 136932435) is 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol is Nc1cc(-c2c(O)ccc(Br)c2F)on1.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol?
The InChIKey is XOIIVEPMASEYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c10-4-1-2-5(14)8(9(4)11)6-3-7(12)13-15-6/h1-3,14H,(H2,12,13).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol?
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol has a molecular weight of 273.06 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol is sourced from PubChem (CID 136932435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).