3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid

C11H6Br2N2O4 — CID 63111801

IUPAC3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1C(=O)O)c1ccon1
InChIInChI=1S/C11H6Br2N2O4/c12-5-3-6(11(17)18)9(7(13)4-5)14-10(16)8-1-2-19-15-8/h1-4H,(H,14,16)(H,17,18)
InChIKeyISABTNRBVAXNAO-UHFFFAOYSA-N
MW389.99 g/mol
LogP3.15
Rot. Bonds3

About 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid

3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid (PubChem CID 63111801) has the molecular formula C11H6Br2N2O4 and a molecular weight of 389.99 g/mol. Its IUPAC name is 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid
PubChem CID63111801
Molecular FormulaC11H6Br2N2O4
Molecular Weight389.99 g/mol
Exact Mass387.87
IUPAC Name3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1C(=O)O)c1ccon1
InChIInChI=1S/C11H6Br2N2O4/c12-5-3-6(11(17)18)9(7(13)4-5)14-10(16)8-1-2-19-15-8/h1-4H,(H,14,16)(H,17,18)
InChIKeyISABTNRBVAXNAO-UHFFFAOYSA-N
XLogP3.15
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.99
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 63111791
3,5-dibromo-2-[(4-methylbenzoyl)amino]benzoic acid
CID 63111958
3,5-dibromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405452
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305
N-(4-bromo-3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 65430131
3,5-dibromo-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 63111891
3,5-dibromo-2-[(4-iodobenzoyl)carbamothioylamino]benzoic acid
CID 3269707
3,5-dibromo-2-(dimethylaminocarbamoylamino)benzoic acid
CID 83019246
N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 103274989
2-[(3-amino-2-methylpropanoyl)amino]-3,5-dibromobenzoic acid
CID 63112369
3,5-dibromo-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824438
3-amino-4-(1,2-oxazole-3-carbonylamino)benzoic acid
CID 63117144

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid?
The IUPAC name of 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid (CID 63111801) is 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid.
What is the SMILES notation for 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid?
The canonical SMILES for 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid is O=C(Nc1c(Br)cc(Br)cc1C(=O)O)c1ccon1.
What is the InChIKey of 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid?
The InChIKey is ISABTNRBVAXNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O4/c12-5-3-6(11(17)18)9(7(13)4-5)14-10(16)8-1-2-19-15-8/h1-4H,(H,14,16)(H,17,18).
What are the key properties of 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid?
3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid has a molecular weight of 389.99 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(1,2-oxazole-3-carbonylamino)benzoic acid is sourced from PubChem (CID 63111801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).