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

C15H11N3O2 — CID 666146

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESNC(=O)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H11N3O2/c16-13(19)11-8-4-5-9-12(11)15-17-14(18-20-15)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyBUBPQHVGIPXLIS-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.50
Rot. Bonds3

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

2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 666146) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID666146
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESNC(=O)c1ccccc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H11N3O2/c16-13(19)11-8-4-5-9-12(11)15-17-14(18-20-15)10-6-2-1-3-7-10/h1-9H,(H2,16,19)
InChIKeyBUBPQHVGIPXLIS-UHFFFAOYSA-N
XLogP2.50
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 666146) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is BUBPQHVGIPXLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c16-13(19)11-8-4-5-9-12(11)15-17-14(18-20-15)10-6-2-1-3-7-10/h1-9H,(H2,16,19).
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 265.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 666146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).