2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole

C19H13N3O — CID 59236801

IUPAC2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-c3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C19H13N3O/c1-3-8-14(9-4-1)16-12-7-13-17(20-16)19-22-21-18(23-19)15-10-5-2-6-11-15/h1-13H
InChIKeyNBFUYNGSIMYECO-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.47
Rot. Bonds3

About 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole

2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole (PubChem CID 59236801) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
PubChem CID59236801
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2cccc(-c3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C19H13N3O/c1-3-8-14(9-4-1)16-12-7-13-17(20-16)19-22-21-18(23-19)15-10-5-2-6-11-15/h1-13H
InChIKeyNBFUYNGSIMYECO-UHFFFAOYSA-N
XLogP4.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole (CID 59236801) is 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole is c1ccc(-c2cccc(-c3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is NBFUYNGSIMYECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-3-8-14(9-4-1)16-12-7-13-17(20-16)19-22-21-18(23-19)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole?
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 299.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59236801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).