5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

C22H16N6O2 — CID 125180484

IUPAC5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESCc1cccnc1-c1nc(-c2ccccc2-c2noc(-c3ncccc3C)n2)no1
InChIInChI=1S/C22H16N6O2/c1-13-7-5-11-23-17(13)21-25-19(27-29-21)15-9-3-4-10-16(15)20-26-22(30-28-20)18-14(2)8-6-12-24-18/h3-12H,1-2H3
InChIKeySVDWWVZAUDKNID-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.53
Rot. Bonds4

About 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole

5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 125180484) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
PubChem CID125180484
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
SMILESCc1cccnc1-c1nc(-c2ccccc2-c2noc(-c3ncccc3C)n2)no1
InChIInChI=1S/C22H16N6O2/c1-13-7-5-11-23-17(13)21-25-19(27-29-21)15-9-3-4-10-16(15)20-26-22(30-28-20)18-14(2)8-6-12-24-18/h3-12H,1-2H3
InChIKeySVDWWVZAUDKNID-UHFFFAOYSA-N
XLogP4.53
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62340328
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
3-methyl-5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 118391610
2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62341028
5-fluoro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136905979
[6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81099704
3-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol
CID 15957098
5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259812
2-amino-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633379
2,4-dibromo-6-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63111766
2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106524273
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 46265169

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole (CID 125180484) is 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is Cc1cccnc1-c1nc(-c2ccccc2-c2noc(-c3ncccc3C)n2)no1.
What is the InChIKey of 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is SVDWWVZAUDKNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c1-13-7-5-11-23-17(13)21-25-19(27-29-21)15-9-3-4-10-16(15)20-26-22(30-28-20)18-14(2)8-6-12-24-18/h3-12H,1-2H3.
What are the key properties of 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole?
5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 396.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2-pyridinyl)-3-[2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 125180484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).