10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane

C20H26FN3O2 — CID 139008329

IUPAC10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane
SMILESCc1cc(-c2noc(C(C)N3CCOCC4(CCCC4)C3)n2)ccc1F
InChIInChI=1S/C20H26FN3O2/c1-14-11-16(5-6-17(14)21)18-22-19(26-23-18)15(2)24-9-10-25-13-20(12-24)7-3-4-8-20/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3
InChIKeyXUYLIFXGPJNRTF-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.14
Rot. Bonds3

About 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane

10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 139008329) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane
PubChem CID139008329
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane
SMILESCc1cc(-c2noc(C(C)N3CCOCC4(CCCC4)C3)n2)ccc1F
InChIInChI=1S/C20H26FN3O2/c1-14-11-16(5-6-17(14)21)18-22-19(26-23-18)15(2)24-9-10-25-13-20(12-24)7-3-4-8-20/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3
InChIKeyXUYLIFXGPJNRTF-UHFFFAOYSA-N
XLogP4.14
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane with MolForge

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Related Compounds

1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774953
1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
CID 110892569
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 78881162
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenol
CID 86993111
4-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]phenol
CID 78898660
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78881389
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 78881465
3-(4-fluoro-3-methylphenyl)-5-[1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 78896836
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 78881160
[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 78881158

Frequently Asked Questions

What is the IUPAC name of 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane (CID 139008329) is 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane is Cc1cc(-c2noc(C(C)N3CCOCC4(CCCC4)C3)n2)ccc1F.
What is the InChIKey of 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is XUYLIFXGPJNRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-14-11-16(5-6-17(14)21)18-22-19(26-23-18)15(2)24-9-10-25-13-20(12-24)7-3-4-8-20/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane?
10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 359.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 139008329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).