5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole

C11H19N3O2 — CID 116704042

IUPAC5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(C2CNC2)n1)C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(15-4)9-13-10(16-14-9)7-5-12-6-7/h7-8,12H,5-6H2,1-4H3
InChIKeyHMPXDVBKEGOKKU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.49
Rot. Bonds3

About 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole

5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole (PubChem CID 116704042) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
PubChem CID116704042
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
SMILESCOC(c1noc(C2CNC2)n1)C(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)8(15-4)9-13-10(16-14-9)7-5-12-6-7/h7-8,12H,5-6H2,1-4H3
InChIKeyHMPXDVBKEGOKKU-UHFFFAOYSA-N
XLogP1.49
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methoxy-2,2-dimethylpropyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116704055
3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911942
3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743668
1-cyclopropyl-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116704058
N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 116704048
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 116704120
3-(1-methoxy-2,2-dimethylpropyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116704150
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
(1S)-1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565578
5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride
CID 146049926
5-(azepan-2-yl)-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704264
1-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2,2-dimethylpropan-1-amine
CID 61323612

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole (CID 116704042) is 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole is COC(c1noc(C2CNC2)n1)C(C)(C)C.
What is the InChIKey of 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
The InChIKey is HMPXDVBKEGOKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)8(15-4)9-13-10(16-14-9)7-5-12-6-7/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116704042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).