(2S)-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 171631653

IUPAC(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](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)/t10-,11?,12?/m0/s1
InChIKeyMXWWQNOBDUWIDO-UNXYVOJBSA-N
MW388.39 g/mol
LogP3.06
Rot. Bonds5

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

(2S)-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 171631653) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is (2S)-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 Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171631653
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC Name(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@H](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)/t10-,11?,12?/m0/s1
InChIKeyMXWWQNOBDUWIDO-UNXYVOJBSA-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 (2S)-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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Frequently Asked Questions

What is the IUPAC name of (2S)-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 (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) is (2S)-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 (2S)-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 (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@H](Nc1nnc(C2CC(OC(F)(F)F)C2)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-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-UNXYVOJBSA-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)/t10-,11?,12?/m0/s1.
What are the key properties of (2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2S)-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 (2S)-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 171631653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).