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

C11H9BrN2O3 — CID 106423276

IUPAC5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NCc1ccno1
InChIInChI=1S/C11H9BrN2O3/c12-7-1-2-10(9(5-7)11(15)16)13-6-8-3-4-14-17-8/h1-5,13H,6H2,(H,15,16)
InChIKeyDVSXQLJIQDSTSD-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.75
Rot. Bonds4

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

5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid (PubChem CID 106423276) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
PubChem CID106423276
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NCc1ccno1
InChIInChI=1S/C11H9BrN2O3/c12-7-1-2-10(9(5-7)11(15)16)13-6-8-3-4-14-17-8/h1-5,13H,6H2,(H,15,16)
InChIKeyDVSXQLJIQDSTSD-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

2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419123
5-bromo-2-(pyridin-4-ylmethylamino)benzoic acid
CID 58989767
2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106422640
2-bromo-6-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423289
5-bromo-2-(2-fluoroethylamino)benzoic acid
CID 130504978
5-bromo-2-iodo-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103941177
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419253
5-bromo-2-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 114895801
5-fluoro-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylic acid
CID 106419255
3-amino-4-(1,2-oxazol-5-ylmethylamino)benzamide
CID 106414526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid (CID 106423276) is 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid is O=C(O)c1cc(Br)ccc1NCc1ccno1.
What is the InChIKey of 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The InChIKey is DVSXQLJIQDSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c12-7-1-2-10(9(5-7)11(15)16)13-6-8-3-4-14-17-8/h1-5,13H,6H2,(H,15,16).
What are the key properties of 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid?
5-bromo-2-(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 5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid is sourced from PubChem (CID 106423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).