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

C11H19N3O — CID 96864783

IUPAC2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc([C@@H]2CCCCN2)o1
InChIInChI=1S/C11H19N3O/c1-11(2,3)10-14-13-9(15-10)8-6-4-5-7-12-8/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyFRMHPPFYNMGWHC-QMMMGPOBSA-N
MW209.29 g/mol
LogP2.18
Rot. Bonds1

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

2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole (PubChem CID 96864783) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
PubChem CID96864783
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc([C@@H]2CCCCN2)o1
InChIInChI=1S/C11H19N3O/c1-11(2,3)10-14-13-9(15-10)8-6-4-5-7-12-8/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyFRMHPPFYNMGWHC-QMMMGPOBSA-N
XLogP2.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 119031517
2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 123914649
2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
CID 115032776
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 4888633
5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
2-(2-tert-butylpyrazol-3-yl)piperidine
CID 83392327
2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 102703341
2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 91566589
2-(4-tert-butylphenyl)piperidine
CID 4137790
2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 83859417

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole (CID 96864783) is 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole is CC(C)(C)c1nnc([C@@H]2CCCCN2)o1.
What is the InChIKey of 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is FRMHPPFYNMGWHC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)10-14-13-9(15-10)8-6-4-5-7-12-8/h8,12H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 209.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 96864783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).