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

C16H11NO3 — CID 28605672

IUPAC5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)on1
InChIInChI=1S/C16H11NO3/c18-16(19)14-10-15(20-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyBNXVUFWYOPFLPL-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.71
Rot. Bonds3

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

5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 28605672) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID28605672
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)on1
InChIInChI=1S/C16H11NO3/c18-16(19)14-10-15(20-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19)
InChIKeyBNXVUFWYOPFLPL-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid (CID 28605672) is 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)on1.
What is the InChIKey of 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is BNXVUFWYOPFLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16(19)14-10-15(20-17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,19).
What are the key properties of 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 28605672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).