5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid

C10H5Cl2NO3 — CID 26370041

IUPAC5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2NO3/c11-6-3-1-2-5(7(6)12)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15)
InChIKeyUEDACSDCBQKSEN-UHFFFAOYSA-N
MW258.06 g/mol
LogP3.35
Rot. Bonds2

About 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid

5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 26370041) has the molecular formula C10H5Cl2NO3 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID26370041
Molecular FormulaC10H5Cl2NO3
Molecular Weight258.06 g/mol
Exact Mass256.96
IUPAC Name5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2NO3/c11-6-3-1-2-5(7(6)12)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15)
InChIKeyUEDACSDCBQKSEN-UHFFFAOYSA-N
XLogP3.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid (CID 26370041) is 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is UEDACSDCBQKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO3/c11-6-3-1-2-5(7(6)12)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15).
What are the key properties of 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid?
5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 258.06 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 26370041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).