(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one

C16H21F3N4O2 — CID 174252084

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc([C@H]2C[C@@H]2C(F)(F)F)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C16H21F3N4O2/c1-9(13(24)23-6-4-15(2-3-15)5-7-23)20-14-22-21-12(25-14)10-8-11(10)16(17,18)19/h9-11H,2-8H2,1H3,(H,20,22)/t9-,10+,11+/m1/s1
InChIKeyXYOLFPALGXLTDT-VWYCJHECSA-N
MW358.36 g/mol
LogP2.94
Rot. Bonds4

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

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 174252084) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID174252084
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc([C@H]2C[C@@H]2C(F)(F)F)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C16H21F3N4O2/c1-9(13(24)23-6-4-15(2-3-15)5-7-23)20-14-22-21-12(25-14)10-8-11(10)16(17,18)19/h9-11H,2-8H2,1H3,(H,20,22)/t9-,10+,11+/m1/s1
InChIKeyXYOLFPALGXLTDT-VWYCJHECSA-N
XLogP2.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-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-[(1R,2R)-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174253414
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632194
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2-pyridin-2-ylcyclopropyl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631962
4-[(1S,2S)-2-[5-[[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 174252752
4-[(1R,2S)-2-[5-[[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 174252793
4-[(1S,2R)-2-[5-[[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]amino]-1,3,4-oxadiazol-2-yl]cyclopropyl]benzonitrile
CID 171632019
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171632579
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R,2R)-2-(1H-indazol-7-yl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 174250250
(2R)-2-[[5-[(1S,1aR,6bS)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
CID 171631839
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
CID 171631821
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one;molecular hydrogen
CID 171632070
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
CID 174249199

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 174252084) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@@H](Nc1nnc([C@H]2C[C@@H]2C(F)(F)F)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is XYOLFPALGXLTDT-VWYCJHECSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-9(13(24)23-6-4-15(2-3-15)5-7-23)20-14-22-21-12(25-14)10-8-11(10)16(17,18)19/h9-11H,2-8H2,1H3,(H,20,22)/t9-,10+,11+/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 358.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 174252084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).