4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide

C12H11BrN2O3 — CID 65488541

IUPAC4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
SMILESCc1noc(NC(=O)c2ccc(Br)cc2O)c1C
InChIInChI=1S/C12H11BrN2O3/c1-6-7(2)15-18-12(6)14-11(17)9-4-3-8(13)5-10(9)16/h3-5,16H,1-2H3,(H,14,17)
InChIKeyCXTZHSOZGOEGMJ-UHFFFAOYSA-N
MW311.14 g/mol
LogP3.01
Rot. Bonds2

About 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide

4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide (PubChem CID 65488541) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
PubChem CID65488541
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
SMILESCc1noc(NC(=O)c2ccc(Br)cc2O)c1C
InChIInChI=1S/C12H11BrN2O3/c1-6-7(2)15-18-12(6)14-11(17)9-4-3-8(13)5-10(9)16/h3-5,16H,1-2H3,(H,14,17)
InChIKeyCXTZHSOZGOEGMJ-UHFFFAOYSA-N
XLogP3.01
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 114372486
4-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 65488539
2-bromo-5-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzamide
CID 103722577
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 113386525
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
4-bromo-2-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 47435797
4-bromo-N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 114932587
4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47435879
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide (CID 65488541) is 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide is Cc1noc(NC(=O)c2ccc(Br)cc2O)c1C.
What is the InChIKey of 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
The InChIKey is CXTZHSOZGOEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-6-7(2)15-18-12(6)14-11(17)9-4-3-8(13)5-10(9)16/h3-5,16H,1-2H3,(H,14,17).
What are the key properties of 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide?
4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide has a molecular weight of 311.14 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide is sourced from PubChem (CID 65488541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).