5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole

C15H25N3O — CID 116682608

IUPAC5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
SMILESCC(c1nc(C2CCCCCCC2)no1)C1CNC1
InChIInChI=1S/C15H25N3O/c1-11(13-9-16-10-13)15-17-14(18-19-15)12-7-5-3-2-4-6-8-12/h11-13,16H,2-10H2,1H3
InChIKeyICWZITCBLKIAMN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds3

About 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole

5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole (PubChem CID 116682608) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
PubChem CID116682608
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
SMILESCC(c1nc(C2CCCCCCC2)no1)C1CNC1
InChIInChI=1S/C15H25N3O/c1-11(13-9-16-10-13)15-17-14(18-19-15)12-7-5-3-2-4-6-8-12/h11-13,16H,2-10H2,1H3
InChIKeyICWZITCBLKIAMN-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[1-(azetidin-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]thiolane 1,1-dioxide
CID 116682617
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
5-[1-(azetidin-3-yl)ethyl]-3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
CID 103344561
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole (CID 116682608) is 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole is CC(c1nc(C2CCCCCCC2)no1)C1CNC1.
What is the InChIKey of 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole?
The InChIKey is ICWZITCBLKIAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(13-9-16-10-13)15-17-14(18-19-15)12-7-5-3-2-4-6-8-12/h11-13,16H,2-10H2,1H3.
What are the key properties of 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole has a molecular weight of 263.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole is sourced from PubChem (CID 116682608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).