3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid

C17H12BrNO4 — CID 90202589

IUPAC3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3Br)cc2)no1
InChIInChI=1S/C17H12BrNO4/c18-14-4-2-1-3-12(14)10-22-13-7-5-11(6-8-13)15-9-16(17(20)21)23-19-15/h1-9H,10H2,(H,20,21)
InChIKeyZYXUEBFZWAQBJR-UHFFFAOYSA-N
MW374.19 g/mol
LogP4.38
Rot. Bonds5

About 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid

3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 90202589) has the molecular formula C17H12BrNO4 and a molecular weight of 374.19 g/mol. Its IUPAC name is 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID90202589
Molecular FormulaC17H12BrNO4
Molecular Weight374.19 g/mol
Exact Mass372.99
IUPAC Name3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3Br)cc2)no1
InChIInChI=1S/C17H12BrNO4/c18-14-4-2-1-3-12(14)10-22-13-7-5-11(6-8-13)15-9-16(17(20)21)23-19-15/h1-9H,10H2,(H,20,21)
InChIKeyZYXUEBFZWAQBJR-UHFFFAOYSA-N
XLogP4.38
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic 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

N-[(2-bromophenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46482012
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
3-(4-cyclobutyloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117401327
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
3-(3,4-diethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117364843
[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl pyrrolidine-1-carboxylate
CID 46893513
3-[3-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117422508
4-[4-[(2-bromophenyl)methoxy]phenyl]benzonitrile
CID 7670973
3-[4-(3-fluoropropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117375396
2-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]ethyl formate
CID 141273478
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
2-[4-[(2-bromophenyl)methoxy]phenyl]ethanethioamide
CID 24690051

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid (CID 90202589) is 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(OCc3ccccc3Br)cc2)no1.
What is the InChIKey of 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZYXUEBFZWAQBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4/c18-14-4-2-1-3-12(14)10-22-13-7-5-11(6-8-13)15-9-16(17(20)21)23-19-15/h1-9H,10H2,(H,20,21).
What are the key properties of 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid?
3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 374.19 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-bromophenyl)methoxy]phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 90202589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).