3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole

C20H16N4O2 — CID 654290

IUPAC3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C20H16N4O2/c1-13-5-7-14(8-6-13)17-10-9-16(20(22-17)25-2)18-23-19(26-24-18)15-4-3-11-21-12-15/h3-12H,1-2H3
InChIKeyYAZZRSRSFPKDSY-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.18
Rot. Bonds4

About 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole

3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 654290) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID654290
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1
InChIInChI=1S/C20H16N4O2/c1-13-5-7-14(8-6-13)17-10-9-16(20(22-17)25-2)18-23-19(26-24-18)15-4-3-11-21-12-15/h3-12H,1-2H3
InChIKeyYAZZRSRSFPKDSY-UHFFFAOYSA-N
XLogP4.18
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole (CID 654290) is 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole is COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1.
What is the InChIKey of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is YAZZRSRSFPKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-5-7-14(8-6-13)17-10-9-16(20(22-17)25-2)18-23-19(26-24-18)15-4-3-11-21-12-15/h3-12H,1-2H3.
What are the key properties of 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole?
3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 344.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 654290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).