2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid

C10H8BrNO3 — CID 83866963

IUPAC2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccc(Br)c2o1
InChIInChI=1S/C10H8BrNO3/c1-5(10(13)14)9-12-7-4-2-3-6(11)8(7)15-9/h2-5H,1H3,(H,13,14)
InChIKeyHONGHNZMFRXLNM-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.78
Rot. Bonds2

About 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid

2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid (PubChem CID 83866963) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
PubChem CID83866963
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2cccc(Br)c2o1
InChIInChI=1S/C10H8BrNO3/c1-5(10(13)14)9-12-7-4-2-3-6(11)8(7)15-9/h2-5H,1H3,(H,13,14)
InChIKeyHONGHNZMFRXLNM-UHFFFAOYSA-N
XLogP2.78
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic 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-(7-bromo-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 103500360
2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
CID 83859229
7-bromo-2-(difluoromethyl)-1,3-benzoxazole
CID 131119022
4-(7-bromo-1,3-benzoxazol-2-yl)pentan-1-amine
CID 104685987
2-amino-2-(7-bromo-1,3-benzoxazol-2-yl)acetonitrile
CID 130132782
potassium 7-bromo-1,3-benzoxazole-2-carboxylate
CID 162763817
3-(7-bromo-1,3-benzoxazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81496922
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
ethyl 7-bromo-1,3-benzoxazole-2-carboxylate
CID 130133419
7-bromo-2-fluoro-1,3-benzoxazole
CID 131072299
7-bromo-1,3-benzoxazole-2-carbaldehyde
CID 53408473
2-(4-bromo-1-benzofuran-3-yl)propanoic acid
CID 117119174

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid?
The IUPAC name of 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid (CID 83866963) is 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid?
The canonical SMILES for 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid is CC(C(=O)O)c1nc2cccc(Br)c2o1.
What is the InChIKey of 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid?
The InChIKey is HONGHNZMFRXLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c1-5(10(13)14)9-12-7-4-2-3-6(11)8(7)15-9/h2-5H,1H3,(H,13,14).
What are the key properties of 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid?
2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid has a molecular weight of 270.08 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid is sourced from PubChem (CID 83866963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).