2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

C14H7Cl2NO3 — CID 5327160

IUPAC2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)oc2c1
InChIInChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)
InChIKeyXVNRKPCHMYOPPL-UHFFFAOYSA-N
MW308.12 g/mol
LogP4.50
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid

2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 5327160) has the molecular formula C14H7Cl2NO3 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
PubChem CID5327160
Molecular FormulaC14H7Cl2NO3
Molecular Weight308.12 g/mol
Exact Mass306.98
IUPAC Name2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)oc2c1
InChIInChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19)
InChIKeyXVNRKPCHMYOPPL-UHFFFAOYSA-N
XLogP4.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dichlorophenyl)-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
Benoxaprofen
CID 39941
Tafamidis Meglumine
CID 24970412
2-(4-Chlorophenyl)benzoxazole
CID 14355
4-(5-Chloro-1,3-benzoxazol-2-YL)phenylamine
CID 721058
2-(2-Chloro-4-hydroxy-phenyl)-benzooxazol-5-ol
CID 135528624
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 401582
2-Methyl-1,3-benzoxazole-6-carboxylic acid
CID 18475689
(2-{4-[3-((E)-2,4-Dichloro-phenyl)-acryloylamino]-3-fluoro-phenyl}-benzooxazol-5-yl)-acetic acid
CID 44402024
(2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-phenyl}-benzooxazol-5-yl)-acetic acid
CID 44402407
(2-{2-Chloro-4-[3-((E)-2,4-dichloro-phenyl)-acryloylamino]-phenyl}-benzooxazol-5-yl)-acetic acid
CID 44402473
2-(2-(4-(3-(3-Chloro-4-fluorophenyl)acrylamido)-3-fluorophenyl)benzo[d]oxazol-5-yl)acetic acid
CID 44402474

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid (CID 5327160) is 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid is O=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)oc2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is XVNRKPCHMYOPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO3/c15-8-2-1-3-9(16)12(8)13-17-10-5-4-7(14(18)19)6-11(10)20-13/h1-6H,(H,18,19).
What are the key properties of 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid?
2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 308.12 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 5327160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).