(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

C16H21F3N4O2 — CID 171632474

IUPAC(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
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-/m0/s1
InChIKeyXYOLFPALGXLTDT-AXFHLTTASA-N
MW358.36 g/mol
LogP2.94
Rot. Bonds4

About (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

(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 (PubChem CID 171632474) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171632474
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name(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
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-/m0/s1
InChIKeyXYOLFPALGXLTDT-AXFHLTTASA-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 (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 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
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
(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
1-(6-Azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene
CID 171632416
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 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 (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?
The InChIKey is XYOLFPALGXLTDT-AXFHLTTASA-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-/m0/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 171632474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).