3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid

C14H14BrNO5 — CID 43627107

IUPAC3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
SMILESCCOc1cc(C(=O)O)cc(Br)c1OCc1cc(C)no1
InChIInChI=1S/C14H14BrNO5/c1-3-19-12-6-9(14(17)18)5-11(15)13(12)20-7-10-4-8(2)16-21-10/h4-6H,3,7H2,1-2H3,(H,17,18)
InChIKeyPMXOCYBPKGVTKB-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.42
Rot. Bonds6

About 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid

3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid (PubChem CID 43627107) has the molecular formula C14H14BrNO5 and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
PubChem CID43627107
Molecular FormulaC14H14BrNO5
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC Name3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
SMILESCCOc1cc(C(=O)O)cc(Br)c1OCc1cc(C)no1
InChIInChI=1S/C14H14BrNO5/c1-3-19-12-6-9(14(17)18)5-11(15)13(12)20-7-10-4-8(2)16-21-10/h4-6H,3,7H2,1-2H3,(H,17,18)
InChIKeyPMXOCYBPKGVTKB-UHFFFAOYSA-N
XLogP3.42
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid 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

3-bromo-5-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 43627104
3-bromo-4-[(4-bromothiophen-2-yl)methoxy]-5-ethoxybenzoic acid
CID 63529529
3-bromo-5-ethoxy-4-(2-methoxyethoxy)benzoic acid
CID 43627109
3-bromo-5-ethoxy-4-(2-hydroxy-2-methylpropoxy)benzoic acid
CID 60886297
3-bromo-5-ethoxy-4-propan-2-yloxybenzoic acid
CID 8706851
3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxybenzoic acid
CID 8707086
3-bromo-5-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 43622544
3-bromo-5-ethoxy-4-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43627087
2-[[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 118653843
3-bromo-4-cyclopentyloxy-5-ethoxybenzoic acid
CID 43627080
3,5-dichloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid
CID 43516104
3-bromo-5-ethoxy-4-(4-methylphenyl)sulfonyloxybenzoic acid
CID 90643240

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid (CID 43627107) is 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid is CCOc1cc(C(=O)O)cc(Br)c1OCc1cc(C)no1.
What is the InChIKey of 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
The InChIKey is PMXOCYBPKGVTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO5/c1-3-19-12-6-9(14(17)18)5-11(15)13(12)20-7-10-4-8(2)16-21-10/h4-6H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid?
3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid has a molecular weight of 356.17 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 43627107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).