2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid

C11H9BrN2O3 — CID 106423289

IUPAC2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESO=C(O)c1c(Br)cccc1NCc1ccno1
InChIInChI=1S/C11H9BrN2O3/c12-8-2-1-3-9(10(8)11(15)16)13-6-7-4-5-14-17-7/h1-5,13H,6H2,(H,15,16)
InChIKeyIPCJXLUMOZTYPS-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.75
Rot. Bonds4

About 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid

2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid (PubChem CID 106423289) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid
PubChem CID106423289
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESO=C(O)c1c(Br)cccc1NCc1ccno1
InChIInChI=1S/C11H9BrN2O3/c12-8-2-1-3-9(10(8)11(15)16)13-6-7-4-5-14-17-7/h1-5,13H,6H2,(H,15,16)
InChIKeyIPCJXLUMOZTYPS-UHFFFAOYSA-N
XLogP2.75
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423276
2-bromo-6-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 114887963
2-bromo-6-[(5-chlorothiophen-2-yl)methylamino]benzoic acid
CID 114888267
2-fluoro-6-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
CID 106421055
2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419123
2-bromo-6-(2-methylprop-2-enylamino)benzoic acid
CID 114888497
2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106422640
2-bromo-6-(methylamino)benzoic acid
CID 114887837
2-bromo-6-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 114170983
2-bromo-6-(2-methylsulfanylethylamino)benzoic acid
CID 114888252
2-bromo-6-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 114888374
2-bromo-6-(pentylamino)benzoic acid
CID 114887851

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The IUPAC name of 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid (CID 106423289) is 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The canonical SMILES for 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid is O=C(O)c1c(Br)cccc1NCc1ccno1.
What is the InChIKey of 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The InChIKey is IPCJXLUMOZTYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c12-8-2-1-3-9(10(8)11(15)16)13-6-7-4-5-14-17-7/h1-5,13H,6H2,(H,15,16).
What are the key properties of 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid?
2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid has a molecular weight of 297.11 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid is sourced from PubChem (CID 106423289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).