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

C17H25N3O — CID 104911800

IUPAC3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CNC[C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1
InChIInChI=1S/C17H25N3O/c1-2-14(10-18-3-1)15-19-16(20-21-15)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14,18H,1-10H2/t11?,12?,13?,14-,17?/m0/s1
InChIKeyGIUUNOWFPAHCGI-ZZTKBFGJSA-N
MW287.41 g/mol
LogP3.00
Rot. Bonds2

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

3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911800) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911800
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CNC[C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1
InChIInChI=1S/C17H25N3O/c1-2-14(10-18-3-1)15-19-16(20-21-15)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14,18H,1-10H2/t11?,12?,13?,14-,17?/m0/s1
InChIKeyGIUUNOWFPAHCGI-ZZTKBFGJSA-N
XLogP3.00
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115032883
3-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
3-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031395
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
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-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911800) is 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is C1CNC[C@@H](c2nc(C34CC5CC(CC(C5)C3)C4)no2)C1.
What is the InChIKey of 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is GIUUNOWFPAHCGI-ZZTKBFGJSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-14(10-18-3-1)15-19-16(20-21-15)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14,18H,1-10H2/t11?,12?,13?,14-,17?/m0/s1.
What are the key properties of 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 287.41 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).