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

C15H10N2O3 — CID 118726286

IUPAC5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C15H10N2O3/c18-15(19)14-17-16-13(20-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeyBZSZIAUVTZTLRS-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.10
Rot. Bonds3

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

5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 118726286) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID118726286
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(-c2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C15H10N2O3/c18-15(19)14-17-16-13(20-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeyBZSZIAUVTZTLRS-UHFFFAOYSA-N
XLogP3.10
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid (CID 118726286) is 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(-c2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is BZSZIAUVTZTLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15(19)14-17-16-13(20-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,18,19).
What are the key properties of 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 118726286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).