3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

C12H21N3O — CID 107070855

IUPAC3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C(C)(C)C)no1
InChIInChI=1S/C12H21N3O/c1-8-6-5-7-13-9(8)10-14-11(15-16-10)12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyZYOUHXKPFCUHCB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds1

About 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 107070855) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID107070855
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C(C)(C)C)no1
InChIInChI=1S/C12H21N3O/c1-8-6-5-7-13-9(8)10-14-11(15-16-10)12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyZYOUHXKPFCUHCB-UHFFFAOYSA-N
XLogP2.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxypropan-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781178
3-tert-butyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 69256891
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888941
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
5-(7-bicyclo[4.1.0]heptanyl)-3-tert-butyl-1,2,4-oxadiazole
CID 102559233
5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 107070924
3-tert-butyl-5-[(2S,3S)-3-methyloxolan-2-yl]-1,2,4-oxadiazole
CID 129381279
5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 107070929
5-(3-methylpiperidin-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 107071090
3-[(3,5-difluorophenyl)methyl]-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070886

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 107070855) is 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1CCCNC1c1nc(C(C)(C)C)no1.
What is the InChIKey of 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZYOUHXKPFCUHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-6-5-7-13-9(8)10-14-11(15-16-10)12(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107070855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).