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

C11H17N3O — CID 23057453

IUPAC5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC1C=C(c2nc(C(C)C)no2)CNC1
InChIInChI=1S/C11H17N3O/c1-7(2)10-13-11(15-14-10)9-4-8(3)5-12-6-9/h4,7-8,12H,5-6H2,1-3H3
InChIKeyDFPILLSJEIXHNK-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.82
Rot. Bonds2

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

5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 23057453) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID23057453
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC1C=C(c2nc(C(C)C)no2)CNC1
InChIInChI=1S/C11H17N3O/c1-7(2)10-13-11(15-14-10)9-4-8(3)5-12-6-9/h4,7-8,12H,5-6H2,1-3H3
InChIKeyDFPILLSJEIXHNK-UHFFFAOYSA-N
XLogP1.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 23057453) is 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is CC1C=C(c2nc(C(C)C)no2)CNC1.
What is the InChIKey of 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DFPILLSJEIXHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)10-13-11(15-14-10)9-4-8(3)5-12-6-9/h4,7-8,12H,5-6H2,1-3H3.
What are the key properties of 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 23057453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).