3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole

C13H23N3O — CID 67212517

IUPAC3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCCCC1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C13H23N3O/c1-4-5-11-6-8-16(9-7-11)13-14-12(10(2)3)15-17-13/h10-11H,4-9H2,1-3H3
InChIKeyBMIGBQWTQMLWCQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.21
Rot. Bonds4

About 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole

3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole (PubChem CID 67212517) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
PubChem CID67212517
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
SMILESCCCC1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C13H23N3O/c1-4-5-11-6-8-16(9-7-11)13-14-12(10(2)3)15-17-13/h10-11H,4-9H2,1-3H3
InChIKeyBMIGBQWTQMLWCQ-UHFFFAOYSA-N
XLogP3.21
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole (CID 67212517) is 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole is CCCC1CCN(c2nc(C(C)C)no2)CC1.
What is the InChIKey of 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
The InChIKey is BMIGBQWTQMLWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-11-6-8-16(9-7-11)13-14-12(10(2)3)15-17-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole?
3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole has a molecular weight of 237.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 67212517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).