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

C16H21F3N4O2 — CID 171631942

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCC(Nc1nnc(C2CC2C(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)
InChIKeyXYOLFPALGXLTDT-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.94
Rot. Bonds4

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171631942) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
PubChem CID171631942
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one
SMILESCC(Nc1nnc(C2CC2C(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)
InChIKeyXYOLFPALGXLTDT-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The IUPAC name of 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) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is CC(Nc1nnc(C2CC2C(F)(F)F)o1)C(=O)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
The InChIKey is XYOLFPALGXLTDT-UHFFFAOYSA-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).
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[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 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-[2-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171631942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).