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

C11H17N3O — CID 14801695

IUPAC3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCCCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C11H17N3O/c1-2-3-6-10-13-11(15-14-10)9-5-4-7-12-8-9/h5,12H,2-4,6-8H2,1H3
InChIKeySAOIWNQBRCHVHD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.79
Rot. Bonds4

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

3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (PubChem CID 14801695) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
PubChem CID14801695
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole
SMILESCCCCc1noc(C2=CCCNC2)n1
InChIInChI=1S/C11H17N3O/c1-2-3-6-10-13-11(15-14-10)9-5-4-7-12-8-9/h5,12H,2-4,6-8H2,1H3
InChIKeySAOIWNQBRCHVHD-UHFFFAOYSA-N
XLogP1.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole (CID 14801695) is 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is CCCCc1noc(C2=CCCNC2)n1.
What is the InChIKey of 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
The InChIKey is SAOIWNQBRCHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-6-10-13-11(15-14-10)9-5-4-7-12-8-9/h5,12H,2-4,6-8H2,1H3.
What are the key properties of 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole?
3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 14801695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).