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

C10H15N3O — CID 94939518

IUPAC5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CNC[C@@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C10H15N3O/c1-2-8(6-11-5-1)9-12-10(14-13-9)7-3-4-7/h7-8,11H,1-6H2/t8-/m0/s1
InChIKeyZHBNOZACIAFFKF-QMMMGPOBSA-N
MW193.25 g/mol
LogP1.41
Rot. Bonds2

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

5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 94939518) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID94939518
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CNC[C@@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C10H15N3O/c1-2-8(6-11-5-1)9-12-10(14-13-9)7-3-4-7/h7-8,11H,1-6H2/t8-/m0/s1
InChIKeyZHBNOZACIAFFKF-QMMMGPOBSA-N
XLogP1.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
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-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
3-(3-methylcyclopentyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911889
5-(2-methylcyclopropyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026812
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
3-(2,3-dihydro-1H-inden-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911895

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 94939518) is 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is C1CNC[C@@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZHBNOZACIAFFKF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-8(6-11-5-1)9-12-10(14-13-9)7-3-4-7/h7-8,11H,1-6H2/t8-/m0/s1.
What are the key properties of 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 193.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 94939518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).