1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone

C17H20N4O2 — CID 171631786

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
SMILESO=C(CNc1nnc(-c2ccccc2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C17H20N4O2/c22-14(21-10-8-17(6-7-17)9-11-21)12-18-16-20-19-15(23-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,20)
InChIKeyBEWFFTKYQBMUGG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.55
Rot. Bonds4

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

1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone (PubChem CID 171631786) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
PubChem CID171631786
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone
SMILESO=C(CNc1nnc(-c2ccccc2)o1)N1CCC2(CC1)CC2
InChIInChI=1S/C17H20N4O2/c22-14(21-10-8-17(6-7-17)9-11-21)12-18-16-20-19-15(23-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,20)
InChIKeyBEWFFTKYQBMUGG-UHFFFAOYSA-N
XLogP2.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.55
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-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone (CID 171631786) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone is O=C(CNc1nnc(-c2ccccc2)o1)N1CCC2(CC1)CC2.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?
The InChIKey is BEWFFTKYQBMUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-14(21-10-8-17(6-7-17)9-11-21)12-18-16-20-19-15(23-16)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,20).
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone?
1-(6-azaspiro[2.5]octan-6-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.55, 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-phenyl-1,3,4-oxadiazol-2-yl)amino]ethanone is sourced from PubChem (CID 171631786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).