2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole

C19H22N4O — CID 58418046

IUPAC2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)n1
InChIInChI=1S/C19H22N4O/c1-11(2)6-17-10-16(9-14(5)21-17)19-23-22-18(24-19)15-7-12(3)20-13(4)8-15/h7-11H,6H2,1-5H3
InChIKeyNDEZSOGYOZIQEW-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.32
Rot. Bonds4

About 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole

2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole (PubChem CID 58418046) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole
PubChem CID58418046
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)n1
InChIInChI=1S/C19H22N4O/c1-11(2)6-17-10-16(9-14(5)21-17)19-23-22-18(24-19)15-7-12(3)20-13(4)8-15/h7-11H,6H2,1-5H3
InChIKeyNDEZSOGYOZIQEW-UHFFFAOYSA-N
XLogP4.32
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole (CID 58418046) is 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is NDEZSOGYOZIQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-11(2)6-17-10-16(9-14(5)21-17)19-23-22-18(24-19)15-7-12(3)20-13(4)8-15/h7-11H,6H2,1-5H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole?
2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 322.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 58418046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).