3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

C9H13N3O — CID 14898787

IUPAC3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2=CC(C)CNC2)n1
InChIInChI=1S/C9H13N3O/c1-6-3-8(5-10-4-6)9-11-7(2)12-13-9/h3,6,10H,4-5H2,1-2H3
InChIKeyPVBBFODWSSYNJT-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.00
Rot. Bonds1

About 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole

3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14898787) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14898787
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCc1noc(C2=CC(C)CNC2)n1
InChIInChI=1S/C9H13N3O/c1-6-3-8(5-10-4-6)9-11-7(2)12-13-9/h3,6,10H,4-5H2,1-2H3
InChIKeyPVBBFODWSSYNJT-UHFFFAOYSA-N
XLogP1.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 14898787) is 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is Cc1noc(C2=CC(C)CNC2)n1.
What is the InChIKey of 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is PVBBFODWSSYNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-3-8(5-10-4-6)9-11-7(2)12-13-9/h3,6,10H,4-5H2,1-2H3.
What are the key properties of 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 179.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14898787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).