1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene

C17H24F2N4O2 — CID 171632416

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene
SMILESC=CC.O=C(CNc1nnc(C2CC2(F)F)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H18F2N4O2.C3H6/c15-14(16)7-9(14)11-18-19-12(22-11)17-8-10(21)20-5-3-13(1-2-13)4-6-20;1-3-2/h9H,1-8H2,(H,17,19);3H,1H2,2H3
InChIKeyFHEGFZYITAMXJY-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.20
Rot. Bonds4

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene (PubChem CID 171632416) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene
PubChem CID171632416
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene
SMILESC=CC.O=C(CNc1nnc(C2CC2(F)F)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C14H18F2N4O2.C3H6/c15-14(16)7-9(14)11-18-19-12(22-11)17-8-10(21)20-5-3-13(1-2-13)4-6-20;1-3-2/h9H,1-8H2,(H,17,19);3H,1H2,2H3
InChIKeyFHEGFZYITAMXJY-UHFFFAOYSA-N
XLogP3.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene?
The IUPAC name of 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) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene is C=CC.O=C(CNc1nnc(C2CC2(F)F)o1)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene?
The InChIKey is FHEGFZYITAMXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2.C3H6/c15-14(16)7-9(14)11-18-19-12(22-11)17-8-10(21)20-5-3-13(1-2-13)4-6-20;1-3-2/h9H,1-8H2,(H,17,19);3H,1H2,2H3.
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene has a molecular weight of 354.40 g/mol, XLogP of 3.20, 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-(2,2-difluorocyclopropyl)-1,3,4-oxadiazol-2-yl]amino]ethanone;prop-1-ene is sourced from PubChem (CID 171632416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).