1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane

C16H23F3N4O2 — CID 171632345

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.FC(F)(F)C1CC1
InChIInChI=1S/C12H18N4O2.C4H5F3/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;5-4(6,7)3-1-2-3/h8-9H,2-7H2,1H3,(H,14,15);3H,1-2H2
InChIKeyZBYKCMGSXLCVSN-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.23
Rot. Bonds3

About 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane

1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane (PubChem CID 171632345) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane
PubChem CID171632345
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane
SMILESCC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.FC(F)(F)C1CC1
InChIInChI=1S/C12H18N4O2.C4H5F3/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;5-4(6,7)3-1-2-3/h8-9H,2-7H2,1H3,(H,14,15);3H,1-2H2
InChIKeyZBYKCMGSXLCVSN-UHFFFAOYSA-N
XLogP3.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one
CID 171632097
1-(2,2-Difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one
CID 171632268
(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
1-(6-Azaspiro[2.5]octan-6-yl)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one;ethane;fluoroform
CID 171632004
1-(6-Azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;cyclopropane;fluoroform
CID 171632137
(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one
CID 171631658
1-(6-Azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one
CID 171631678
1-(6-Azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)ethanone
CID 171631819
(2S)-1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one
CID 171632149

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane (CID 171632345) is 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane is CC(Nc1nnco1)C(=O)N1CCC2(CC1)CC2.FC(F)(F)C1CC1.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane?
The InChIKey is ZBYKCMGSXLCVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2.C4H5F3/c1-9(14-11-15-13-8-18-11)10(17)16-6-4-12(2-3-12)5-7-16;5-4(6,7)3-1-2-3/h8-9H,2-7H2,1H3,(H,14,15);3H,1-2H2.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane?
1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane has a molecular weight of 360.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-(1,3,4-oxadiazol-2-ylamino)propan-1-one;trifluoromethylcyclopropane is sourced from PubChem (CID 171632345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).