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

C15H20F2N4O2 — CID 171632641

IUPAC(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc([C@H]2CC2(F)F)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C15H20F2N4O2/c1-9(12(22)21-6-4-14(2-3-14)5-7-21)18-13-20-19-11(23-13)10-8-15(10,16)17/h9-10H,2-8H2,1H3,(H,18,20)/t9-,10-/m1/s1
InChIKeyJDOQLISJJLCCDD-NXEZZACHSA-N
MW326.35 g/mol
LogP2.40
Rot. Bonds4

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

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171632641) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-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-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171632641
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESC[C@@H](Nc1nnc([C@H]2CC2(F)F)o1)C(=O)N1CCC2(CC1)CC2
InChIInChI=1S/C15H20F2N4O2/c1-9(12(22)21-6-4-14(2-3-14)5-7-21)18-13-20-19-11(23-13)10-8-15(10,16)17/h9-10H,2-8H2,1H3,(H,18,20)/t9-,10-/m1/s1
InChIKeyJDOQLISJJLCCDD-NXEZZACHSA-N
XLogP2.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-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-[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
1-(6-Azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane
CID 171632345
(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
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-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-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171632641) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-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-[(1R)-2,2-difluorocyclopropyl]-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-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@@H](Nc1nnc([C@H]2CC2(F)F)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is JDOQLISJJLCCDD-NXEZZACHSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c1-9(12(22)21-6-4-14(2-3-14)5-7-21)18-13-20-19-11(23-13)10-8-15(10,16)17/h9-10H,2-8H2,1H3,(H,18,20)/t9-,10-/m1/s1.
What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 326.35 g/mol, XLogP of 2.40, 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-[(1R)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171632641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).