1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one

C16H23N3O2 — CID 127471651

IUPAC1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(C2CCCC2)o1)N1CCC12CCC2
InChIInChI=1S/C16H23N3O2/c20-14(19-11-10-16(19)8-3-9-16)7-6-13-17-18-15(21-13)12-4-1-2-5-12/h12H,1-11H2
InChIKeyLHTVZYRGFQGLFY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds4

About 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one

1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 127471651) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID127471651
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESO=C(CCc1nnc(C2CCCC2)o1)N1CCC12CCC2
InChIInChI=1S/C16H23N3O2/c20-14(19-11-10-16(19)8-3-9-16)7-6-13-17-18-15(21-13)12-4-1-2-5-12/h12H,1-11H2
InChIKeyLHTVZYRGFQGLFY-UHFFFAOYSA-N
XLogP2.81
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 127471651) is 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one is O=C(CCc1nnc(C2CCCC2)o1)N1CCC12CCC2.
What is the InChIKey of 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is LHTVZYRGFQGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-14(19-11-10-16(19)8-3-9-16)7-6-13-17-18-15(21-13)12-4-1-2-5-12/h12H,1-11H2.
What are the key properties of 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azaspiro[3.3]heptan-1-yl)-3-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 127471651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).