8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H19N3O3S — CID 35426517

IUPAC8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O3S/c1-11(13-16-17-14(21-13)12-3-2-10-22-12)18-6-4-15(5-7-18)19-8-9-20-15/h2-3,10-11H,4-9H2,1H3/t11-/m0/s1
InChIKeyJTPWACOSVIXDEA-NSHDSACASA-N
MW321.40 g/mol
LogP2.70
Rot. Bonds3

About 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 35426517) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID35426517
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC[C@@H](c1nnc(-c2cccs2)o1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19N3O3S/c1-11(13-16-17-14(21-13)12-3-2-10-22-12)18-6-4-15(5-7-18)19-8-9-20-15/h2-3,10-11H,4-9H2,1H3/t11-/m0/s1
InChIKeyJTPWACOSVIXDEA-NSHDSACASA-N
XLogP2.70
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 35426517) is 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is C[C@@H](c1nnc(-c2cccs2)o1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is JTPWACOSVIXDEA-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11(13-16-17-14(21-13)12-3-2-10-22-12)18-6-4-15(5-7-18)19-8-9-20-15/h2-3,10-11H,4-9H2,1H3/t11-/m0/s1.
What are the key properties of 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 321.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 35426517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).