1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one

C12H16F2N4O2 — CID 171632268

IUPAC1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one
SMILESCCC(Nc1nnco1)C(=O)N1CCC2(C1)CC2(F)F
InChIInChI=1S/C12H16F2N4O2/c1-2-8(16-10-17-15-7-20-10)9(19)18-4-3-11(6-18)5-12(11,13)14/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeySQCBAZDGOPSRPJ-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.52
Rot. Bonds4

About 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one

1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one (PubChem CID 171632268) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one.

Molecular Properties

Compound Name1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one
PubChem CID171632268
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one
SMILESCCC(Nc1nnco1)C(=O)N1CCC2(C1)CC2(F)F
InChIInChI=1S/C12H16F2N4O2/c1-2-8(16-10-17-15-7-20-10)9(19)18-4-3-11(6-18)5-12(11,13)14/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeySQCBAZDGOPSRPJ-UHFFFAOYSA-N
XLogP1.52
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one?
The IUPAC name of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one (CID 171632268) is 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one.
What is the SMILES notation for 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one?
The canonical SMILES for 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one is CCC(Nc1nnco1)C(=O)N1CCC2(C1)CC2(F)F.
What is the InChIKey of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one?
The InChIKey is SQCBAZDGOPSRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c1-2-8(16-10-17-15-7-20-10)9(19)18-4-3-11(6-18)5-12(11,13)14/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one?
1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one has a molecular weight of 286.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-2-(1,3,4-oxadiazol-2-ylamino)butan-1-one is sourced from PubChem (CID 171632268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).