1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C17H23F3N4O3 — CID 171631992

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCC(Nc1nnc(C2CC(OC(F)(F)F)C2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C17H23F3N4O3/c1-10(14(25)24-6-4-16(2-3-16)5-7-24)21-15-23-22-13(26-15)11-8-12(9-11)27-17(18,19)20/h10-12H,2-9H2,1H3,(H,21,23)
InChIKeyMXWWQNOBDUWIDO-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.06
Rot. Bonds5

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171631992) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171631992
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCC(Nc1nnc(C2CC(OC(F)(F)F)C2)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C17H23F3N4O3/c1-10(14(25)24-6-4-16(2-3-16)5-7-24)21-15-23-22-13(26-15)11-8-12(9-11)27-17(18,19)20/h10-12H,2-9H2,1H3,(H,21,23)
InChIKeyMXWWQNOBDUWIDO-UHFFFAOYSA-N
XLogP3.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one with MolForge

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Related Compounds

(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631653
1-(6-Azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171631741
1-(6-Azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631942
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632055
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632103
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632150
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632289
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632375
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632474
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632487
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]ethanone
CID 171632638
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174252032

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171631992) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is CC(Nc1nnc(C2CC(OC(F)(F)F)C2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is MXWWQNOBDUWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-10(14(25)24-6-4-16(2-3-16)5-7-24)21-15-23-22-13(26-15)11-8-12(9-11)27-17(18,19)20/h10-12H,2-9H2,1H3,(H,21,23).
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 388.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171631992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).