2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid

C14H7BrClNO3 — CID 81357412

IUPAC2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1
InChIInChI=1S/C14H7BrClNO3/c15-8-2-3-9(10(16)6-8)13-17-11-4-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
InChIKeyPHVYHCLXETYDRE-UHFFFAOYSA-N
MW352.57 g/mol
LogP4.61
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid

2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 81357412) has the molecular formula C14H7BrClNO3 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid
PubChem CID81357412
Molecular FormulaC14H7BrClNO3
Molecular Weight352.57 g/mol
Exact Mass350.93
IUPAC Name2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1
InChIInChI=1S/C14H7BrClNO3/c15-8-2-3-9(10(16)6-8)13-17-11-4-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)
InChIKeyPHVYHCLXETYDRE-UHFFFAOYSA-N
XLogP4.61
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-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

Tafamidis
CID 11001318
2-(2,6-Dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 5327160
2-Methyl-1,3-benzoxazole-6-carboxylic acid
CID 18475689
2-(2-(4-(3-(4-Bromophenyl)acrylamido)-2-chlorophenyl)benzo[d]oxazol-5-yl)acetic acid
CID 44402381
2-(2-(4-(3-(3-Bromophenyl)acrylamido)-2-chlorophenyl)benzo[d]oxazol-5-yl)acetic acid
CID 44402556
Tafamidis(1-)
CID 71772370
Methyl 2-(3,5-dichlorophenyl)-6-benzoxazolecarboxylate
CID 118053752
2-Phenyl-1,3-benzoxazole-6-carboxylic acid
CID 10900714
5-bromo-2-chloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1721491
5-Benzoxazoleacetic acid, 2-(2-chlorophenyl)-alpha-methyl-
CID 39956
5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-
CID 3039778
(2-{5-[3-((E)-4-Bromo-phenyl)-acryloylamino]-2-chloro-phenyl}-benzooxazol-5-yl)-acetic acid
CID 44402162

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid (CID 81357412) is 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is PHVYHCLXETYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO3/c15-8-2-3-9(10(16)6-8)13-17-11-4-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19).
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 352.57 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 81357412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).