4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide

C20H14N4O2 — CID 50828630

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H14N4O2/c25-19(22-17-8-4-5-13-21-17)15-9-11-16(12-10-15)20-23-18(24-26-20)14-6-2-1-3-7-14/h1-13H,(H,21,22,25)
InChIKeyKDGPORGYIKCRMJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.05
Rot. Bonds4

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide (PubChem CID 50828630) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
PubChem CID50828630
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C20H14N4O2/c25-19(22-17-8-4-5-13-21-17)15-9-11-16(12-10-15)20-23-18(24-26-20)14-6-2-1-3-7-14/h1-13H,(H,21,22,25)
InChIKeyKDGPORGYIKCRMJ-UHFFFAOYSA-N
XLogP4.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide (CID 50828630) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
The InChIKey is KDGPORGYIKCRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19(22-17-8-4-5-13-21-17)15-9-11-16(12-10-15)20-23-18(24-26-20)14-6-2-1-3-7-14/h1-13H,(H,21,22,25).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide has a molecular weight of 342.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 50828630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).