4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

C15H10N2O3 — CID 596995

IUPAC4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H10N2O3/c18-15(19)12-8-6-11(7-9-12)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeyKJSLGQIRTJNTKD-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.10
Rot. Bonds3

About 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid

4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid (PubChem CID 596995) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
PubChem CID596995
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H10N2O3/c18-15(19)12-8-6-11(7-9-12)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H,(H,18,19)
InChIKeyKJSLGQIRTJNTKD-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 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid (CID 596995) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid is O=C(O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid?
The InChIKey is KJSLGQIRTJNTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-15(19)12-8-6-11(7-9-12)14-17-16-13(20-14)10-4-2-1-3-5-10/h1-9H,(H,18,19).
What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid?
4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic 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 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoic acid is sourced from PubChem (CID 596995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).