2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole

C12H15F3N2O3 — CID 142540033

IUPAC2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole
SMILESFC(F)(F)OC1CC(c2nnc([C@@H]3CCCCO3)o2)C1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)20-8-5-7(6-8)10-16-17-11(19-10)9-3-1-2-4-18-9/h7-9H,1-6H2/t7?,8?,9-/m0/s1
InChIKeySOCWQTXWMBUBEI-HACHORDNSA-N
MW292.26 g/mol
LogP3.09
Rot. Bonds3

About 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole

2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole (PubChem CID 142540033) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole
PubChem CID142540033
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole
SMILESFC(F)(F)OC1CC(c2nnc([C@@H]3CCCCO3)o2)C1
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)20-8-5-7(6-8)10-16-17-11(19-10)9-3-1-2-4-18-9/h7-9H,1-6H2/t7?,8?,9-/m0/s1
InChIKeySOCWQTXWMBUBEI-HACHORDNSA-N
XLogP3.09
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-methoxy-3,4-dihydro-2H-chromene-2-carboxamide;ethane;2-(oxan-2-yl)-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole
CID 155717190
[(3R,6S)-6-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]oxan-3-yl]carbamic acid;hydrochloride
CID 155211535
(3S,6S)-4,4-difluoro-6-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]oxan-3-amine;hydrochloride
CID 155211562
2-[(2R)-oxan-2-yl]-5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazole
CID 166755407
3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.2.0]hexan-1-amine
CID 167268267
(3S)-3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]bicyclo[2.1.1]hexan-1-amine
CID 174265121
5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 62213336
N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 166247490
2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62213585
2-[(2R)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490163
2-[(2S)-oxan-2-yl]-5-[(2S,3S)-2-phenyloxolan-3-yl]-1,3,4-oxadiazole
CID 129490164
2-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethyl]oxane
CID 142540018

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole (CID 142540033) is 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole is FC(F)(F)OC1CC(c2nnc([C@@H]3CCCCO3)o2)C1.
What is the InChIKey of 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole?
The InChIKey is SOCWQTXWMBUBEI-HACHORDNSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)20-8-5-7(6-8)10-16-17-11(19-10)9-3-1-2-4-18-9/h7-9H,1-6H2/t7?,8?,9-/m0/s1.
What are the key properties of 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole?
2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole has a molecular weight of 292.26 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxan-2-yl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142540033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).