3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C11H17N3O — CID 96818006

IUPAC3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CC(c2noc([C@H]3CCCNC3)n2)C1
InChIInChI=1S/C11H17N3O/c1-3-8(4-1)10-13-11(15-14-10)9-5-2-6-12-7-9/h8-9,12H,1-7H2/t9-/m0/s1
InChIKeyLAQFVWYALJVRDX-VIFPVBQESA-N
MW207.28 g/mol
LogP1.80
Rot. Bonds2

About 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 96818006) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID96818006
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CC(c2noc([C@H]3CCCNC3)n2)C1
InChIInChI=1S/C11H17N3O/c1-3-8(4-1)10-13-11(15-14-10)9-5-2-6-12-7-9/h8-9,12H,1-7H2/t9-/m0/s1
InChIKeyLAQFVWYALJVRDX-VIFPVBQESA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
5-[(3S)-piperidin-3-yl]-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 104911980
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895
5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 96818006) is 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is C1CC(c2noc([C@H]3CCCNC3)n2)C1.
What is the InChIKey of 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is LAQFVWYALJVRDX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-8(4-1)10-13-11(15-14-10)9-5-2-6-12-7-9/h8-9,12H,1-7H2/t9-/m0/s1.
What are the key properties of 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 96818006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).