5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole

C11H15N3O — CID 23047511

IUPAC5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCN1CCC=C(c2noc(C3CC3)n2)C1
InChIInChI=1S/C11H15N3O/c1-14-6-2-3-9(7-14)10-12-11(15-13-10)8-4-5-8/h3,8H,2,4-7H2,1H3
InChIKeyJLBYJUYSKLGJSE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.67
Rot. Bonds2

About 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 23047511) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
PubChem CID23047511
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
SMILESCN1CCC=C(c2noc(C3CC3)n2)C1
InChIInChI=1S/C11H15N3O/c1-14-6-2-3-9(7-14)10-12-11(15-13-10)8-4-5-8/h3,8H,2,4-7H2,1H3
InChIKeyJLBYJUYSKLGJSE-UHFFFAOYSA-N
XLogP1.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole (CID 23047511) is 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is CN1CCC=C(c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is JLBYJUYSKLGJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-6-2-3-9(7-14)10-12-11(15-13-10)8-4-5-8/h3,8H,2,4-7H2,1H3.
What are the key properties of 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 205.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 23047511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).