5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid

C16H10ClNO4 — CID 71625260

IUPAC5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)on1
InChIInChI=1S/C16H10ClNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20)
InChIKeyUPFLMJBXADQZST-UHFFFAOYSA-N
MW315.71 g/mol
LogP4.49
Rot. Bonds4

About 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 71625260) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID71625260
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Name5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)on1
InChIInChI=1S/C16H10ClNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20)
InChIKeyUPFLMJBXADQZST-UHFFFAOYSA-N
XLogP4.49
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 71625260) is 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)on1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UPFLMJBXADQZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20).
What are the key properties of 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 315.71 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 71625260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).