4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol

C9H6BrN3O4 — CID 117482805

IUPAC4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol
SMILESNc1oncc1-c1cc(Br)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H6BrN3O4/c10-6-1-4(5-3-12-17-9(5)11)2-7(8(6)14)13(15)16/h1-3,14H,11H2
InChIKeyOPBREBSLENVODK-UHFFFAOYSA-N
MW300.07 g/mol
LogP2.30
Rot. Bonds2

About 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol

4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol (PubChem CID 117482805) has the molecular formula C9H6BrN3O4 and a molecular weight of 300.07 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol
PubChem CID117482805
Molecular FormulaC9H6BrN3O4
Molecular Weight300.07 g/mol
Exact Mass298.95
IUPAC Name4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol
SMILESNc1oncc1-c1cc(Br)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H6BrN3O4/c10-6-1-4(5-3-12-17-9(5)11)2-7(8(6)14)13(15)16/h1-3,14H,11H2
InChIKeyOPBREBSLENVODK-UHFFFAOYSA-N
XLogP2.30
TPSA115.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-4-hydroxy-5-nitrophenyl)-1H-pyrazole-5-carboxylic acid
CID 136998120
3-bromo-4-hydroxy-5-nitrobenzaldehyde
CID 1494378
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
(2S)-2-amino-3-(3-bromo-4-hydroxy-5-nitrophenyl)propanoic acid
CID 170692685
4-[3-bromo-5-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 115112263
4-(2-amino-2-methylpropyl)-2-bromo-6-nitrophenol
CID 117466873
2-bromo-4-tert-butyl-6-nitrophenol acetate
CID 170453400
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
2-bromo-6-chloro-4-nitropyridin-3-ol
CID 154897670
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 168592594
3-amino-2-(3-bromo-4-hydroxy-5-nitrophenyl)propanoic acid
CID 117490171

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol?
The IUPAC name of 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol (CID 117482805) is 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol is Nc1oncc1-c1cc(Br)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol?
The InChIKey is OPBREBSLENVODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O4/c10-6-1-4(5-3-12-17-9(5)11)2-7(8(6)14)13(15)16/h1-3,14H,11H2.
What are the key properties of 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol?
4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol has a molecular weight of 300.07 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-4-yl)-2-bromo-6-nitrophenol is sourced from PubChem (CID 117482805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).