3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole

C9H9N3O — CID 131158237

IUPAC3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ccncc2C)n1
InChIInChI=1S/C9H9N3O/c1-6-5-10-4-3-8(6)9-11-7(2)12-13-9/h3-5H,1-2H3
InChIKeyXSNZEXSLNTUFJU-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.75
Rot. Bonds1

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

3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 131158237) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID131158237
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCc1noc(-c2ccncc2C)n1
InChIInChI=1S/C9H9N3O/c1-6-5-10-4-3-8(6)9-11-7(2)12-13-9/h3-5H,1-2H3
InChIKeyXSNZEXSLNTUFJU-UHFFFAOYSA-N
XLogP1.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole (CID 131158237) is 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole is Cc1noc(-c2ccncc2C)n1.
What is the InChIKey of 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is XSNZEXSLNTUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-5-10-4-3-8(6)9-11-7(2)12-13-9/h3-5H,1-2H3.
What are the key properties of 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole?
3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 175.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 131158237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).