6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile

C20H13N5O2 — CID 142165413

IUPAC6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(C#N)cn3)no2)c1
InChIInChI=1S/C20H13N5O2/c1-26-17-8-15(14-3-2-6-22-12-14)7-16(9-17)20-24-19(25-27-20)18-5-4-13(10-21)11-23-18/h2-9,11-12H,1H3
InChIKeyHZCUYXOZHCHRGR-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.74
Rot. Bonds4

About 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile

6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile (PubChem CID 142165413) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
PubChem CID142165413
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(C#N)cn3)no2)c1
InChIInChI=1S/C20H13N5O2/c1-26-17-8-15(14-3-2-6-22-12-14)7-16(9-17)20-24-19(25-27-20)18-5-4-13(10-21)11-23-18/h2-9,11-12H,1H3
InChIKeyHZCUYXOZHCHRGR-UHFFFAOYSA-N
XLogP3.74
TPSA97.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile (CID 142165413) is 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile is COc1cc(-c2cccnc2)cc(-c2nc(-c3ccc(C#N)cn3)no2)c1.
What is the InChIKey of 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
The InChIKey is HZCUYXOZHCHRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c1-26-17-8-15(14-3-2-6-22-12-14)7-16(9-17)20-24-19(25-27-20)18-5-4-13(10-21)11-23-18/h2-9,11-12H,1H3.
What are the key properties of 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile has a molecular weight of 355.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 142165413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).