5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

C11H7Cl2NO4 — CID 61397630

IUPAC5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cc(Cl)cc(Cl)c2)on1
InChIInChI=1S/C11H7Cl2NO4/c12-6-1-7(13)3-8(2-6)17-5-9-4-10(11(15)16)14-18-9/h1-4H,5H2,(H,15,16)
InChIKeySFFZAAHCOGPHNQ-UHFFFAOYSA-N
MW288.09 g/mol
LogP3.26
Rot. Bonds4

About 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397630) has the molecular formula C11H7Cl2NO4 and a molecular weight of 288.09 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397630
Molecular FormulaC11H7Cl2NO4
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Name5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2cc(Cl)cc(Cl)c2)on1
InChIInChI=1S/C11H7Cl2NO4/c12-6-1-7(13)3-8(2-6)17-5-9-4-10(11(15)16)14-18-9/h1-4H,5H2,(H,15,16)
InChIKeySFFZAAHCOGPHNQ-UHFFFAOYSA-N
XLogP3.26
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397630) is 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COc2cc(Cl)cc(Cl)c2)on1.
What is the InChIKey of 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is SFFZAAHCOGPHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO4/c12-6-1-7(13)3-8(2-6)17-5-9-4-10(11(15)16)14-18-9/h1-4H,5H2,(H,15,16).
What are the key properties of 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 288.09 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).